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

Systemtic Name: [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-[[(1S)-1-(1-naphthyl)ethyl]amino]-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-[[(1S)-1-(1-naphthalenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-2-[[(1S)-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(16-11-6-8-15-7-2-3-9-17(15)16)22-20(24)13-28-21(25)18-10-4-5-12-19(18)23(26)27/h2-12,14H,13H2,1H3,(H,22,24)/t14-/m0/s1