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

Systemtic Name: ethyl 2-[(3,5-dinitrophenyl)carbonylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-dinitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H17N3O7S MolecularWeight: 455.44058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O7S/c1-3-31-21(26)18-17(13-6-4-12(2)5-7-13)11-32-20(18)22-19(25)14-8-15(23(27)28)10-16(9-14)24(29)30/h4-11H,3H2,1-2H3,(H,22,25)