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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

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