[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-[[(1R)-1,2-diphenylethyl]amino]-2-keto-ethyl] ester Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O5/c1-17-12-13-20(15-22(17)26(29)30)24(28)31-16-23(27)25-21(19-10-6-3-7-11-19)14-18-8-4-2-5-9-18/h2-13,15,21H,14,16H2,1H3,(H,25,27)/t21-/m1/s1