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

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H16N2O5/c1-11-5-3-4-6-14(11)18-16(20)10-24-17(21)13-7-8-15(19(22)23)12(2)9-13/h3-9H,10H2,1-2H3,(H,18,20)