[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC(=O)C2=CC=CN2)C3=CC=CC=C3

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC(=O)C2=CC=CN2)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3O4/c1-23-15-10-20(12-6-3-2-4-7-12)19-16(15)17(22)24-11-14(21)13-8-5-9-18-13/h2-10,18H,11H2,1H3