7-(2,4-dimethylphenyl)-5-(4-nitrocyclopenta-1,3-dien-1-yl)-3-(phenylhydrazinylidene)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-2-one

Systemtic Name: 7-(2,4-dimethylphenyl)-5-(4-nitrocyclopenta-1,3-dien-1-yl)-3-(phenylhydrazinylidene)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-2-one Openeye Name: 7-(2,4-dimethylphenyl)-5-(4-nitrocyclopenta-1,3-dien-1-yl)-3-(phenylhydrazono)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-2-one CAS Name: 7-(2,4-dimethylphenyl)-5-(4-nitro-1-cyclopenta-1,3-dienyl)-3-(phenylhydrazinylidene)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-2-one IUPAC Name: 7-(2,4-dimethylphenyl)-5-(4-nitrocyclopenta-1,3-dien-1-yl)-3-(phenylhydrazinylidene)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-2-one Traditional Name: 7-(2,4-dimethylphenyl)-5-(4-nitrocyclopenta-1,3-dien-1-yl)-3-(phenylhydrazono)-1,3a,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-2-one Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2CC(NC3N2NC(=O)C3=NNC4=CC=CC=C4)C5=CC=C(C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C2CC(NC3N2NC(=O)C3=NNC4=CC=CC=C4)C5=CC=C(C5)[N+](=O)[O-])C

InChI

InChI=1S/C25H26N6O3/c1-15-8-11-20(16(2)12-15)22-14-21(17-9-10-19(13-17)31(33)34)26-24-23(25(32)29-30(22)24)28-27-18-6-4-3-5-7-18/h3-12,21-22,24,26-27H,13-14H2,1-2H3,(H,29,32)