5-hexyl-3-(3-nitrophenyl)-3-propan-2-yl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione

Systemtic Name: 5-hexyl-3-(3-nitrophenyl)-3-propan-2-yl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione Openeye Name: 5-hexyl-3-isopropyl-3-(3-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione CAS Name: 5-hexyl-3-(3-nitrophenyl)-3-propan-2-yl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione IUPAC Name: 5-hexyl-3-(3-nitrophenyl)-3-propan-2-yl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione Traditional Name: 5-hexyl-3-isopropyl-3-(3-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-quinone Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2C(C1=O)N=NC2(C3=CC(=CC=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CCCCCCN1C(=O)C2C(C1=O)N=NC2(C3=CC(=CC=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C20H26N4O4/c1-4-5-6-7-11-23-18(25)16-17(19(23)26)21-22-20(16,13(2)3)14-9-8-10-15(12-14)24(27)28/h8-10,12-13,16-17H,4-7,11H2,1-3H3