[2-oxidanylidene-2-[(3-oxidanylidene-1-phenyl-butan-2-yl)amino]ethyl] 5-nitro-2-piperidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(3-oxidanylidene-1-phenyl-butan-2-yl)amino]ethyl] 5-nitro-2-piperidin-1-yl-benzoate Openeye Name: [2-[(1-benzyl-2-oxo-propyl)amino]-2-oxo-ethyl] 5-nitro-2-(1-piperidyl)benzoate CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 5-nitro-2-piperidin-1-ylbenzoate Traditional Name: 5-nitro-2-piperidino-benzoic acid [2-[(1-benzyl-2-keto-propyl)amino]-2-keto-ethyl] ester Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C24H27N3O6/c1-17(28)21(14-18-8-4-2-5-9-18)25-23(29)16-33-24(30)20-15-19(27(31)32)10-11-22(20)26-12-6-3-7-13-26/h2,4-5,8-11,15,21H,3,6-7,12-14,16H2,1H3,(H,25,29)