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

Systemtic Name: methyl 5-(4-chloranyl-3-nitro-phenyl)-1-(2-methyl-4-oxidanylidene-pentan-2-yl)-4,6-bis(oxidanylidene)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Openeye Name: methyl 5-(4-chloro-3-nitro-phenyl)-1-(1,1-dimethyl-3-oxo-butyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate CAS Name: 5-(4-chloro-3-nitrophenyl)-1-(2-methyl-4-oxopentan-2-yl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-chloro-3-nitrophenyl)-1-(2-methyl-4-oxopentan-2-yl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Traditional Name: 5-(4-chloro-3-nitro-phenyl)-4,6-diketo-1-(3-keto-1,1-dimethyl-butyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester Formula: C19H19ClN4O7 MolecularWeight: 450.82976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)N1C2C(C(=N1)C(=O)OC)C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CC(C)(C)N1C2C(C(=N1)C(=O)OC)C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O7/c1-9(25)8-19(2,3)23-15-13(14(21-23)18(28)31-4)16(26)22(17(15)27)10-5-6-11(20)12(7-10)24(29)30/h5-7,13,15H,8H2,1-4H3