1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4,6-bis(oxidanylidene)-3-propan-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4,6-bis(oxidanylidene)-3-propan-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-isopropyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4,6-dioxo-3-propan-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4,6-dioxo-3-propan-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-isopropyl-4,6-diketo-1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3C4C(C(=O)NC4=O)C(N3)(C(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3C4C(C(=O)NC4=O)C(N3)(C(C)C)C(=O)O

InChI

InChI=1S/C21H24N4O5/c1-10(2)21(20(29)30)15-14(17(26)22-18(15)27)16(23-21)13-11(3)24(4)25(19(13)28)12-8-6-5-7-9-12/h5-10,14-16,23H,1-4H3,(H,29,30)(H,22,26,27)