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

Systemtic Name: methyl (6aR)-5-(3-chloranyl-4-methyl-phenyl)-1-ethanoyl-4,6-bis(oxidanylidene)-2,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Openeye Name: methyl (6aR)-1-acetyl-5-(3-chloro-4-methyl-phenyl)-4,6-dioxo-2,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate CAS Name: (6aR)-1-acetyl-5-(3-chloro-4-methylphenyl)-4,6-dioxo-2,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl (6aR)-1-acetyl-5-(3-chloro-4-methylphenyl)-4,6-dioxo-2,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Traditional Name: (6aR)-1-acetyl-5-(3-chloro-4-methyl-phenyl)-4,6-diketo-2,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester Formula: C16H14ClN3O5 MolecularWeight: 363.75246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3C(=C(NN3C(=O)C)C(=O)OC)C2=O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)[C@H]3C(=C(NN3C(=O)C)C(=O)OC)C2=O)Cl

InChI

InChI=1S/C16H14ClN3O5/c1-7-4-5-9(6-10(7)17)19-14(22)11-12(16(24)25-3)18-20(8(2)21)13(11)15(19)23/h4-6,13,18H,1-3H3/t13-/m1/s1