[1-oxidanylidene-1-(phenethylamino)propan-2-yl] 5-chloranyl-2-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 5-chloranyl-2-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C18H17ClN2O5 MolecularWeight: 376.79098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O5/c1-12(17(22)20-10-9-13-5-3-2-4-6-13)26-18(23)15-11-14(19)7-8-16(15)21(24)25/h2-8,11-12H,9-10H2,1H3,(H,20,22)