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

Systemtic Name: methyl 4-aminocarbonyl-5-[(3,5-dinitrophenyl)carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 4-carbamoyl-5-[(3,5-dinitrobenzoyl)amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-carbamoyl-5-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-carbamoyl-5-[(3,5-dinitrobenzoyl)amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-carbamoyl-5-[(3,5-dinitrobenzoyl)amino]-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C15H12N4O8S MolecularWeight: 408.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H12N4O8S/c1-6-10(12(16)20)14(28-11(6)15(22)27-2)17-13(21)7-3-8(18(23)24)5-9(4-7)19(25)26/h3-5H,1-2H3,(H2,16,20)(H,17,21)