ethyl 2-(4-chloranylbutanoylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(4-chloranylbutanoylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(4-chlorobutanoylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[(4-chloro-1-oxobutyl)amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorobutanoylamino)-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-(4-chlorobutanoylamino)-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C17H17ClN2O5S MolecularWeight: 396.84528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CCCCl

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)CCCCl

InChI

InChI=1S/C17H17ClN2O5S/c1-2-25-17(22)15-13(11-5-3-6-12(9-11)20(23)24)10-26-16(15)19-14(21)7-4-8-18/h3,5-6,9-10H,2,4,7-8H2,1H3,(H,19,21)