[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 3-(m-tolyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 3-(3-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(m-tolyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)C1=CN(N=C1C2=CC(=CC=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)C1=CN(N=C1C2=CC(=CC=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O5/c1-3-29-22(28)23-19(26)14-30-21(27)18-13-25(17-10-5-4-6-11-17)24-20(18)16-9-7-8-15(2)12-16/h4-13H,3,14H2,1-2H3,(H,23,26,28)