1-(4-chlorophenyl)-3-ethanoyl-5-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione

Systemtic Name: 1-(4-chlorophenyl)-3-ethanoyl-5-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione Openeye Name: 3-acetyl-1-(4-chlorophenyl)-5-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione CAS Name: 3-acetyl-1-(4-chlorophenyl)-5-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione IUPAC Name: 3-acetyl-1-(4-chlorophenyl)-5-(4-ethoxyphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione Traditional Name: 3-acetyl-1-(4-chlorophenyl)-5-p-phenetyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-quinone Formula: C21H18ClN3O4 MolecularWeight: 411.83832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=C3C(=O)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=C3C(=O)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN3O4/c1-3-29-16-10-8-14(9-11-16)24-20(27)17-18(12(2)26)23-25(19(17)21(24)28)15-6-4-13(22)5-7-15/h4-11,17,19H,3H2,1-2H3