[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidenepiperidin-1-yl)benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidenepiperidin-1-yl)benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-(2-oxo-1-piperidyl)benzoate CAS Name: 4-(2-oxo-1-piperidinyl)benzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-(2-oxopiperidin-1-yl)benzoate Traditional Name: 4-(2-ketopiperidino)benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)N3CCCCC3=O

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)N3CCCCC3=O

InChI

InChI=1S/C21H21N3O6/c1-14(20(26)22-16-5-4-6-18(13-16)24(28)29)30-21(27)15-8-10-17(11-9-15)23-12-3-2-7-19(23)25/h4-6,8-11,13-14H,2-3,7,12H2,1H3,(H,22,26)