[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC

InChI

InChI=1S/C18H19N3O5/c1-12-5-3-4-6-13(12)10-20-17(22)11-26-18(23)15-9-14(21(24)25)7-8-16(15)19-2/h3-9,19H,10-11H2,1-2H3,(H,20,22)