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

Systemtic Name: methyl 5-aminocarbonyl-4-methyl-2-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-4-methyl-2-[(4-methyl-3,5-dinitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[(4-methyl-3,5-dinitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-4-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[(4-methyl-3,5-dinitro-benzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C16H14N4O8S MolecularWeight: 422.36936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O8S/c1-6-9(19(24)25)4-8(5-10(6)20(26)27)14(22)18-15-11(16(23)28-3)7(2)12(29-15)13(17)21/h4-5H,1-3H3,(H2,17,21)(H,18,22)