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

Systemtic Name: methyl (3aS,6aR)-5-(3-chloranyl-4-methyl-phenyl)-1-nitroso-4,6-bis(oxidanylidene)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Openeye Name: methyl (3aS,6aR)-5-(3-chloro-4-methyl-phenyl)-1-nitroso-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate CAS Name: (3aS,6aR)-5-(3-chloro-4-methylphenyl)-1-nitroso-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl (3aS,6aR)-5-(3-chloro-4-methylphenyl)-1-nitroso-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Traditional Name: (3aS,6aR)-5-(3-chloro-4-methyl-phenyl)-4,6-diketo-1-nitroso-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester Formula: C14H11ClN4O5 MolecularWeight: 350.71394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)N(N=C3C(=O)OC)N=O)Cl

InChI

InChI=1S/C14H11ClN4O5/c1-6-3-4-7(5-8(6)15)18-12(20)9-10(14(22)24-2)16-19(17-23)11(9)13(18)21/h3-5,9,11H,1-2H3/t9-,11-/m1/s1