ethyl 2-[(3-methylphenyl)carbonylamino]-5-nitro-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-methylphenyl)carbonylamino]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-methylbenzoyl)amino]-5-nitro-thiophene-3-carboxylate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-methylbenzoyl)amino]-5-nitrothiophene-3-carboxylate Traditional Name: 2-(m-toluoylamino)-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C15H14N2O5S MolecularWeight: 334.34706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C15H14N2O5S/c1-3-22-15(19)11-8-12(17(20)21)23-14(11)16-13(18)10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3,(H,16,18)