ethyl 4-cyano-5-[(2,4-dinitrophenyl)carbonylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[(2,4-dinitrophenyl)carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[(2,4-dinitrobenzoyl)amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[(2,4-dinitrophenyl)-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[(2,4-dinitrobenzoyl)amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(2,4-dinitrobenzoyl)amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C16H12N4O7S MolecularWeight: 404.35408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C#N)C

InChI

InChI=1S/C16H12N4O7S/c1-3-27-16(22)13-8(2)11(7-17)15(28-13)18-14(21)10-5-4-9(19(23)24)6-12(10)20(25)26/h4-6H,3H2,1-2H3,(H,18,21)