[1-oxidanylidene-1-(4-phenylbutan-2-ylamino)propan-2-yl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylbutan-2-ylamino)propan-2-yl] 4-chloranyl-2-nitro-benzoate Openeye Name: [1-methyl-2-[(1-methyl-3-phenyl-propyl)amino]-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylbutan-2-ylamino)propan-2-yl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-keto-1-methyl-2-[(1-methyl-3-phenyl-propyl)amino]ethyl] ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O5/c1-13(8-9-15-6-4-3-5-7-15)22-19(24)14(2)28-20(25)17-11-10-16(21)12-18(17)23(26)27/h3-7,10-14H,8-9H2,1-2H3,(H,22,24)