[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C23H20N2O5 MolecularWeight: 404.4153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O5/c1-16-13-19(11-12-21(16)25(28)29)23(27)30-15-22(26)24-20-10-6-5-9-18(20)14-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3,(H,24,26)