(2-azanyl-2-oxidanylidene-ethyl) 3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid (2-amino-2-keto-ethyl) ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H19N3O5/c1-26-16-9-8-13(10-17(16)27-2)19-15(20(25)28-12-18(21)24)11-23(22-19)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H2,21,24)