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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC)C3=CC=CC=C3

InChI

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