(3aS,4S,9bS)-6-methoxy-3a-nitro-4-phenyl-4,9b-dihydro-1H-chromeno[3,4-c]pyrazole

Systemtic Name: (3aS,4S,9bS)-6-methoxy-3a-nitro-4-phenyl-4,9b-dihydro-1H-chromeno[3,4-c]pyrazole Openeye Name: (3aS,4S,9bS)-6-methoxy-3a-nitro-4-phenyl-4,9b-dihydro-1H-chromeno[3,4-c]pyrazole CAS Name: (3aS,4S,9bS)-6-methoxy-3a-nitro-4-phenyl-4,9b-dihydro-1H-[1]benzopyrano[3,4-c]pyrazole IUPAC Name: (3aS,4S,9bS)-6-methoxy-3a-nitro-4-phenyl-4,9b-dihydro-1H-chromeno[3,4-c]pyrazole Traditional Name: (3aS,4S,9bS)-6-methoxy-3a-nitro-4-phenyl-4,9b-dihydro-1H-chromeno[3,4-c]pyrazole Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(C3(C2CN=N3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1O[C@H]([C@]3([C@@H]2CN=N3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C17H15N3O4/c1-23-14-9-5-8-12-13-10-18-19-17(13,20(21)22)16(24-15(12)14)11-6-3-2-4-7-11/h2-9,13,16H,10H2,1H3/t13-,16+,17+/m1/s1