[1-oxidanylidene-1-(2-phenylpropylamino)propan-2-yl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(2-phenylpropylamino)propan-2-yl] 2-azanyl-5-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(2-phenylpropylamino)ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [1-oxo-1-(2-phenylpropylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2-phenylpropylamino)propan-2-yl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-keto-1-methyl-2-(2-phenylpropylamino)ethyl] ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5/c1-12(14-6-4-3-5-7-14)11-21-18(23)13(2)27-19(24)16-10-15(22(25)26)8-9-17(16)20/h3-10,12-13H,11,20H2,1-2H3,(H,21,23)