[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[methyl(p-tolylmethyl)amino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-[methyl-(4-methylbenzyl)amino]ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c1-13-6-8-14(9-7-13)11-19(2)17(21)12-25-18(22)15-4-3-5-16(10-15)20(23)24/h3-10H,11-12H2,1-2H3