[1-oxidanylidene-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [1-methyl-2-[(1-methyl-3-phenyl-propyl)amino]-2-oxo-ethyl] 2-[(4-chloro-3-nitro-benzoyl)amino]acetate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]acetic acid [1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]acetic acid [2-keto-1-methyl-2-[(1-methyl-3-phenyl-propyl)amino]ethyl] ester Formula: C22H24ClN3O6 MolecularWeight: 461.89546

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C(C)OC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C(C)OC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H24ClN3O6/c1-14(8-9-16-6-4-3-5-7-16)25-21(28)15(2)32-20(27)13-24-22(29)17-10-11-18(23)19(12-17)26(30)31/h3-7,10-12,14-15H,8-9,13H2,1-2H3,(H,24,29)(H,25,28)