[2-[(4-benzamido-2,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [2-[(4-benzamido-2,5-dimethoxy-phenyl)amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-(4-benzamido-2,5-dimethoxy-anilino)-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-benzamido-2,5-dimethoxyanilino)-2-oxoethyl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-(4-benzamido-2,5-dimethoxy-anilino)-2-keto-ethyl] ester Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)OCC(=O)NC2=C(C=C(C(=C2)OC)NC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CN1C=C(C=N1)C(=O)OCC(=O)NC2=C(C=C(C(=C2)OC)NC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H22N4O6/c1-26-12-15(11-23-26)22(29)32-13-20(27)24-16-9-19(31-3)17(10-18(16)30-2)25-21(28)14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,24,27)(H,25,28)