1-[(3R,3aS)-7-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanone

Systemtic Name: 1-[(3R,3aS)-7-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanone Openeye Name: 1-[(3R,3aS)-7-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanone CAS Name: 1-[(3R,3aS)-7-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanone IUPAC Name: 1-[(3R,3aS)-7-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]ethanone Traditional Name: 1-[(3R,3aS)-7-methoxy-3-(3-nitrophenyl)-3,3a,4,5-tetrahydrobenz[g]indazol-2-yl]ethanone Formula: C20H19N3O4 MolecularWeight: 365.38256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C2CCC3=C(C2=N1)C=CC(=C3)OC)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1[C@H]([C@@H]2CCC3=C(C2=N1)C=CC(=C3)OC)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4/c1-12(24)22-20(14-4-3-5-15(10-14)23(25)26)18-8-6-13-11-16(27-2)7-9-17(13)19(18)21-22/h3-5,7,9-11,18,20H,6,8H2,1-2H3/t18-,20+/m1/s1