[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 3-(2-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C26H22N4O6 MolecularWeight: 486.47608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C26H22N4O6/c1-35-23-14-8-5-11-19(23)25-20(16-29(28-25)15-18-9-3-2-4-10-18)26(32)36-17-24(31)27-21-12-6-7-13-22(21)30(33)34/h2-14,16H,15,17H2,1H3,(H,27,31)