propyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: propyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: propyl 2-[(4-chloro-3-nitro-benzoyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid propyl ester IUPAC Name: propyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]-4-phenyl-thiophene-3-carboxylic acid propyl ester Formula: C21H17ClN2O5S MolecularWeight: 444.88808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H17ClN2O5S/c1-2-10-29-21(26)18-15(13-6-4-3-5-7-13)12-30-20(18)23-19(25)14-8-9-16(22)17(11-14)24(27)28/h3-9,11-12H,2,10H2,1H3,(H,23,25)