[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c1-13-6-2-3-7-14(13)10-11-19-17(21)12-25-18(22)15-8-4-5-9-16(15)20(23)24/h2-9H,10-12H2,1H3,(H,19,21)