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

Systemtic Name: methyl 2-[(3,5-dinitrophenyl)carbonylamino]-4-(3-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(3,5-dinitrobenzoyl)amino]-4-(m-tolyl)thiophene-3-carboxylate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-4-(3-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3,5-dinitrobenzoyl)amino]-4-(3-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]-4-(m-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C20H15N3O7S MolecularWeight: 441.414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O7S/c1-11-4-3-5-12(6-11)16-10-31-19(17(16)20(25)30-2)21-18(24)13-7-14(22(26)27)9-15(8-13)23(28)29/h3-10H,1-2H3,(H,21,24)