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

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate CAS Name: 4,5-dimethoxy-2-[(2-methyl-1-oxopropyl)amino]benzoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Traditional Name: 2-(isobutyrylamino)-4,5-dimethoxy-benzoic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C22H25N3O8 MolecularWeight: 459.4492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2NC(=O)C(C)C)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2NC(=O)C(C)C)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O8/c1-12(2)21(27)24-16-10-19(32-5)18(31-4)9-15(16)22(28)33-11-20(26)23-14-7-6-13(3)17(8-14)25(29)30/h6-10,12H,11H2,1-5H3,(H,23,26)(H,24,27)