[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[[(1R)-1-(1-naphthyl)ethyl]amino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[[(1R)-1-(1-naphthalenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-[[(1R)-1-(1-naphthyl)ethyl]amino]ethyl] ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5/c1-14(18-11-5-7-15-6-2-3-10-19(15)18)22-20(24)13-28-21(25)16-8-4-9-17(12-16)23(26)27/h2-12,14H,13H2,1H3,(H,22,24)/t14-/m1/s1