methyl 2-[(4-chloranyl-3,5-dinitro-phenyl)carbonylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-chloranyl-3,5-dinitro-phenyl)carbonylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-3,5-dinitro-benzoyl)amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-3,5-dinitrophenyl)-oxomethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-3,5-dinitrobenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(4-chloro-3,5-dinitro-benzoyl)amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C20H14ClN3O7S MolecularWeight: 475.85906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN3O7S/c1-10-3-5-11(6-4-10)13-9-32-19(16(13)20(26)31-2)22-18(25)12-7-14(23(27)28)17(21)15(8-12)24(29)30/h3-9H,1-2H3,(H,22,25)