[2-(methylamino)-2-oxidanylidene-ethyl] 3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 3-(3-methoxyphenyl)-1-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-(4-methylphenyl)-4-pyrazolecarboxylic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylate Traditional Name: 3-(3-methoxyphenyl)-1-(p-tolyl)pyrazole-4-carboxylic acid [2-keto-2-(methylamino)ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)OCC(=O)NC

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)OCC(=O)NC

InChI

InChI=1S/C21H21N3O4/c1-14-7-9-16(10-8-14)24-12-18(21(26)28-13-19(25)22-2)20(23-24)15-5-4-6-17(11-15)27-3/h4-12H,13H2,1-3H3,(H,22,25)