[2-oxidanylidene-2-[(3-oxidanylidene-1-phenyl-butan-2-yl)amino]ethyl] 2-chloranyl-4-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(3-oxidanylidene-1-phenyl-butan-2-yl)amino]ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-[(1-benzyl-2-oxo-propyl)amino]-2-oxo-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic 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] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-[(1-benzyl-2-keto-propyl)amino]-2-keto-ethyl] ester Formula: C19H17ClN2O6 MolecularWeight: 404.80108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O6/c1-12(23)17(9-13-5-3-2-4-6-13)21-18(24)11-28-19(25)15-8-7-14(22(26)27)10-16(15)20/h2-8,10,17H,9,11H2,1H3,(H,21,24)