methyl 4-oxidanyl-3-oxidanylidene-4-phenyl-3a,5-dihydro-1H-pyrrolo[2,3-c]pyrazole-2-carboxylate

Systemtic Name: methyl 4-oxidanyl-3-oxidanylidene-4-phenyl-3a,5-dihydro-1H-pyrrolo[2,3-c]pyrazole-2-carboxylate Openeye Name: methyl 4-hydroxy-3-oxo-4-phenyl-3a,5-dihydro-1H-pyrrolo[2,3-c]pyrazole-2-carboxylate CAS Name: 4-hydroxy-3-oxo-4-phenyl-3a,5-dihydro-1H-pyrrolo[2,3-c]pyrazole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-hydroxy-3-oxo-4-phenyl-3a,5-dihydro-1H-pyrrolo[2,3-c]pyrazole-2-carboxylate Traditional Name: 4-hydroxy-3-keto-4-phenyl-3a,5-dihydro-1H-pyrrolo[2,3-c]pyrazole-2-carboxylic acid methyl ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C(=O)C2C(=NCC2(C3=CC=CC=C3)O)N1

Isomeric SMILES

COC(=O)N1C(=O)C2C(=NCC2(C3=CC=CC=C3)O)N1

InChI

InChI=1S/C13H13N3O4/c1-20-12(18)16-11(17)9-10(15-16)14-7-13(9,19)8-5-3-2-4-6-8/h2-6,9,19H,7H2,1H3,(H,14,15)