[2-[1-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-[1-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-[1-(o-tolyl)ethylamino]-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-2-[1-(o-tolyl)ethylamino]ethyl] ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)COC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(C)NC(=O)COC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5/c1-12-6-4-5-7-15(12)13(2)21-18(23)11-27-19(24)14-8-9-16(20-3)17(10-14)22(25)26/h4-10,13,20H,11H2,1-3H3,(H,21,23)