[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-oxo-2-[[(1R)-1-(p-tolyl)propyl]amino]ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-2-[[(1R)-1-(p-tolyl)propyl]amino]ethyl] ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5/c1-3-16(14-10-8-13(2)9-11-14)20-18(22)12-26-19(23)15-6-4-5-7-17(15)21(24)25/h4-11,16H,3,12H2,1-2H3,(H,20,22)/t16-/m1/s1