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

Systemtic Name: [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[methyl(o-tolylmethyl)amino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-2-[methyl-(2-methylbenzyl)amino]ethyl] ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C(=O)COC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1CN(C)C(=O)COC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

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