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5-(4-Nitro-phenylimino)-4-oxo-2-phenylamino-4,5-dihydro-thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID 4xKkfDNPKVE
InChI InChI=1S/C19H15N3O5S/c1-2-27-19(24)15-16(23)18(21-13-8-10-14(11-9-13)22(25)26)28-17(15)20-12-6-4-3-5-7-12/h3-11,20H,2H2,1H3/b21-18-
InChIKey AQUZAWVXJFNOOF-UZYVYHOESA-N
Mol Weight 397.41 g/mol
Molecular Formula C19H15N3O5S
Exact Mass 397.073242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6tbyzzSlMOV
Name 5-(4-Nitro-phenylimino)-4-oxo-2-phenylamino-4,5-dihydro-thiophene-3-carboxylic acid ethyl ester
Alternate Name(s) Ethyl (5Z)-2-anilino-5-[(4-nitrophenyl)imino]-4-oxo-4,5-dihydro-3-thiophenecarboxylate Ethyl 2-anilino-5-[(4-nitrophenyl)imino]-4-oxo-4,5-dihydro-3-thiophenecarboxylate
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Formula C19H15N3O5S
InChI InChI=1S/C19H15N3O5S/c1-2-27-19(24)15-16(23)18(21-13-8-10-14(11-9-13)22(25)26)28-17(15)20-12-6-4-3-5-7-12/h3-11,20H,2H2,1H3/b21-18-
InChIKey AQUZAWVXJFNOOF-UZYVYHOESA-N
Molecular Weight 397.405 g/mol
SMILES N(C1=C(C(\C(S1)=N\c1ccc(cc1)N(=O)=O)=O)C(OCC)=O)c1ccccc1
SPLASH splash10-0fb9-7904000000-07db2a75bfdbc8488b3c
Wiley ID 1453295