[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[(3-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C16H13ClN2O5 MolecularWeight: 348.73782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O5/c17-13-3-1-2-11(8-13)9-18-15(20)10-24-16(21)12-4-6-14(7-5-12)19(22)23/h1-8H,9-10H2,(H,18,20)