(1-oxidanylidene-1-phenylazanyl-propan-2-yl) 2-chloranyl-4-nitro-benzoate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) 2-chloranyl-4-nitro-benzoate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (1-anilino-1-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (2-anilino-2-keto-1-methyl-ethyl) ester Formula: C16H13ClN2O5 MolecularWeight: 348.73782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H13ClN2O5/c1-10(15(20)18-11-5-3-2-4-6-11)24-16(21)13-8-7-12(19(22)23)9-14(13)17/h2-10H,1H3,(H,18,20)