(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate CAS Name: 1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate Traditional Name: 1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H19N3O6 MolecularWeight: 421.40276

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N(N=C2C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=CC=C5

Isomeric SMILES

C1CC2=C(C1)N(N=C2C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H19N3O6/c26-22(20-18-7-4-8-19(18)24(23-20)16-5-2-1-3-6-16)30-12-15-10-17(25(27)28)9-14-11-29-13-31-21(14)15/h1-3,5-6,9-10H,4,7-8,11-13H2