[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxidanylidene-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxo-ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-[[(1S)-1,2-diphenylethyl]amino]-2-keto-ethyl] ester Formula: C24H22N2O5 MolecularWeight: 418.44188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NC(CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)N[C@@H](CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H22N2O5/c1-17-20(13-8-14-22(17)26(29)30)24(28)31-16-23(27)25-21(19-11-6-3-7-12-19)15-18-9-4-2-5-10-18/h2-14,21H,15-16H2,1H3,(H,25,27)/t21-/m0/s1