[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-cyclopentylpropanoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-cyclopentylpropanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCC2CCCC2

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCC2CCCC2

InChI

InChI=1S/C17H22N2O5/c1-12(24-16(20)10-9-13-5-2-3-6-13)17(21)18-14-7-4-8-15(11-14)19(22)23/h4,7-8,11-13H,2-3,5-6,9-10H2,1H3,(H,18,21)