ethyl 4-(4-methylphenyl)-2-[(5-nitro-2-oxidanyl-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-methylphenyl)-2-[(5-nitro-2-oxidanyl-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-hydroxy-5-nitro-benzoyl)amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[(2-hydroxy-5-nitrophenyl)-oxomethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-hydroxy-5-nitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(2-hydroxy-5-nitro-benzoyl)amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H18N2O6S/c1-3-29-21(26)18-16(13-6-4-12(2)5-7-13)11-30-20(18)22-19(25)15-10-14(23(27)28)8-9-17(15)24/h4-11,24H,3H2,1-2H3,(H,22,25)