propan-2-yl 4-cyano-5-[(3,5-dinitrophenyl)carbonylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: propan-2-yl 4-cyano-5-[(3,5-dinitrophenyl)carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(3,5-dinitrobenzoyl)amino]-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C17H14N4O7S MolecularWeight: 418.38066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O7S/c1-8(2)28-17(23)14-9(3)13(7-18)16(29-14)19-15(22)10-4-11(20(24)25)6-12(5-10)21(26)27/h4-6,8H,1-3H3,(H,19,22)