[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate

Systemtic Name: [1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate Openeye Name: [1-methyl-2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate CAS Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoic acid [1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methyl-5-nitroanilino)-1-oxopropan-2-yl] 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoate Traditional Name: 4-(4,5-dimethyl-1H-imidazol-2-yl)benzoic acid [2-keto-1-methyl-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C3=NC(=C(N3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)OC(=O)C2=CC=C(C=C2)C3=NC(=C(N3)C)C

InChI

InChI=1S/C22H22N4O5/c1-12-5-10-18(26(29)30)11-19(12)25-21(27)15(4)31-22(28)17-8-6-16(7-9-17)20-23-13(2)14(3)24-20/h5-11,15H,1-4H3,(H,23,24)(H,25,27)