1,5-bis(3-chloranyl-2-methyl-phenyl)-3-ethanoyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione

Systemtic Name: 1,5-bis(3-chloranyl-2-methyl-phenyl)-3-ethanoyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione Openeye Name: 3-acetyl-1,5-bis(3-chloro-2-methyl-phenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione CAS Name: 3-acetyl-1,5-bis(3-chloro-2-methylphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione IUPAC Name: 3-acetyl-1,5-bis(3-chloro-2-methylphenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione Traditional Name: 3-acetyl-1,5-bis(3-chloro-2-methyl-phenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-quinone Formula: C21H17Cl2N3O3 MolecularWeight: 430.28398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C3C(C(=N2)C(=O)C)C(=O)N(C3=O)C4=C(C(=CC=C4)Cl)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C3C(C(=N2)C(=O)C)C(=O)N(C3=O)C4=C(C(=CC=C4)Cl)C

InChI

InChI=1S/C21H17Cl2N3O3/c1-10-13(22)6-4-8-15(10)25-20(28)17-18(12(3)27)24-26(19(17)21(25)29)16-9-5-7-14(23)11(16)2/h4-9,17,19H,1-3H3