ethyl 4,6-bis(oxidanylidene)-5-(4-phenylmethoxyphenyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate

Systemtic Name: ethyl 4,6-bis(oxidanylidene)-5-(4-phenylmethoxyphenyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-benzyloxyphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate CAS Name: 4,6-dioxo-5-(4-phenylmethoxyphenyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4,6-dioxo-5-(4-phenylmethoxyphenyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate Traditional Name: 5-(4-benzoxyphenyl)-4,6-diketo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid ethyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O5/c1-2-28-21(27)18-16-17(22-23-18)20(26)24(19(16)25)14-8-10-15(11-9-14)29-12-13-6-4-3-5-7-13/h3-11,16-17,22H,2,12H2,1H3