[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methylbenzoate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c1-11-5-4-6-14(7-11)18(22)25-10-17(21)19-15-8-12(2)13(3)9-16(15)20(23)24/h4-9H,10H2,1-3H3,(H,19,21)