(1R,3aS,4S,9bS)-1-methyl-4-(4-methylphenyl)-3a-nitro-4,9b-dihydro-1H-chromeno[3,4-c]pyrazole

Systemtic Name: (1R,3aS,4S,9bS)-1-methyl-4-(4-methylphenyl)-3a-nitro-4,9b-dihydro-1H-chromeno[3,4-c]pyrazole Openeye Name: (1R,3aS,4S,9bS)-1-methyl-3a-nitro-4-(p-tolyl)-4,9b-dihydro-1H-chromeno[3,4-c]pyrazole CAS Name: (1R,3aS,4S,9bS)-1-methyl-4-(4-methylphenyl)-3a-nitro-4,9b-dihydro-1H-[1]benzopyrano[3,4-c]pyrazole IUPAC Name: (1R,3aS,4S,9bS)-1-methyl-4-(4-methylphenyl)-3a-nitro-4,9b-dihydro-1H-chromeno[3,4-c]pyrazole Traditional Name: (1R,3aS,4S,9bS)-1-methyl-3a-nitro-4-(p-tolyl)-4,9b-dihydro-1H-chromeno[3,4-c]pyrazole Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C3=CC=CC=C3OC(C2(N=N1)[N+](=O)[O-])C4=CC=C(C=C4)C

Isomeric SMILES

C[C@@H]1[C@@H]2C3=CC=CC=C3O[C@H]([C@@]2(N=N1)[N+](=O)[O-])C4=CC=C(C=C4)C

InChI

InChI=1S/C18H17N3O3/c1-11-7-9-13(10-8-11)17-18(21(22)23)16(12(2)19-20-18)14-5-3-4-6-15(14)24-17/h3-10,12,16-17H,1-2H3/t12-,16-,17+,18+/m1/s1