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

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 3-phenyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 1-benzyl-3-phenyl-pyrazole-4-carboxylate CAS Name: 3-phenyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 1-benzyl-3-phenylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3-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)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O5/c1-2-29-22(28)23-19(26)15-30-21(27)18-14-25(13-16-9-5-3-6-10-16)24-20(18)17-11-7-4-8-12-17/h3-12,14H,2,13,15H2,1H3,(H,23,26,28)