phenyl 3-oxidanylidene-4-(phenylmethoxycarbonylamino)-1H-pyrazole-2-carboxylate

Systemtic Name: phenyl 3-oxidanylidene-4-(phenylmethoxycarbonylamino)-1H-pyrazole-2-carboxylate Openeye Name: phenyl 4-(benzyloxycarbonylamino)-3-oxo-1H-pyrazole-2-carboxylate CAS Name: 3-oxo-4-(phenylmethoxycarbonylamino)-1H-pyrazole-2-carboxylic acid phenyl ester IUPAC Name: phenyl 3-oxo-4-(phenylmethoxycarbonylamino)-1H-pyrazole-2-carboxylate Traditional Name: 4-(benzyloxycarbonylamino)-5-keto-3-pyrazoline-1-carboxylic acid phenyl ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CNN(C2=O)C(=O)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CNN(C2=O)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H15N3O5/c22-16-15(20-17(23)25-12-13-7-3-1-4-8-13)11-19-21(16)18(24)26-14-9-5-2-6-10-14/h1-11,19H,12H2,(H,20,23)