[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=CC(=C2)C)C)[N+](=O)[O-]

InChI

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