(phenylmethyl) 4-(3-ethoxy-3-oxidanylidene-propyl)-5-oxidanylidene-1H-pyrazole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-(3-ethoxy-3-oxidanylidene-propyl)-5-oxidanylidene-1H-pyrazole-2-carboxylate Openeye Name: benzyl 4-(3-ethoxy-3-oxo-propyl)-5-oxo-1H-pyrazole-2-carboxylate CAS Name: 4-(3-ethoxy-3-oxopropyl)-5-oxo-1H-pyrazole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-ethoxy-3-oxopropyl)-5-oxo-1H-pyrazole-2-carboxylate Traditional Name: 4-(3-ethoxy-3-keto-propyl)-3-keto-3-pyrazoline-1-carboxylic acid benzyl ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CN(NC1=O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCC1=CN(NC1=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O5/c1-2-22-14(19)9-8-13-10-18(17-15(13)20)16(21)23-11-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3,(H,17,20)