(phenylmethyl) (6aS)-5-(3-chlorophenyl)-4,6-bis(oxidanylidene)-2,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate

Systemtic Name: (phenylmethyl) (6aS)-5-(3-chlorophenyl)-4,6-bis(oxidanylidene)-2,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate Openeye Name: benzyl (6aS)-5-(3-chlorophenyl)-4,6-dioxo-2,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate CAS Name: (6aS)-5-(3-chlorophenyl)-4,6-dioxo-2,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (6aS)-5-(3-chlorophenyl)-4,6-dioxo-2,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate Traditional Name: (6aS)-5-(3-chlorophenyl)-4,6-diketo-2,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid benzyl ester Formula: C19H14ClN3O4 MolecularWeight: 383.78516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C3C(C(=O)N(C3=O)C4=CC(=CC=C4)Cl)NN2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C3[C@@H](C(=O)N(C3=O)C4=CC(=CC=C4)Cl)NN2

InChI

InChI=1S/C19H14ClN3O4/c20-12-7-4-8-13(9-12)23-17(24)14-15(18(23)25)21-22-16(14)19(26)27-10-11-5-2-1-3-6-11/h1-9,15,21-22H,10H2/t15-/m0/s1