[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[[(1R)-1,2-diphenylethyl]amino]-2-keto-ethyl] ester Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C2=CC=CC=C2)NC(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O5/c26-22(16-30-23(27)19-12-7-13-20(15-19)25(28)29)24-21(18-10-5-2-6-11-18)14-17-8-3-1-4-9-17/h1-13,15,21H,14,16H2,(H,24,26)/t21-/m1/s1