1-[8-methoxy-3-(3-nitrophenyl)-1,3,4,5-tetrahydrobenzo[g]indazol-2-yl]propan-1-one

Systemtic Name: 1-[8-methoxy-3-(3-nitrophenyl)-1,3,4,5-tetrahydrobenzo[g]indazol-2-yl]propan-1-one Openeye Name: 1-[8-methoxy-3-(3-nitrophenyl)-1,3,4,5-tetrahydrobenzo[g]indazol-2-yl]propan-1-one CAS Name: 1-[8-methoxy-3-(3-nitrophenyl)-1,3,4,5-tetrahydrobenzo[g]indazol-2-yl]-1-propanone IUPAC Name: 1-[8-methoxy-3-(3-nitrophenyl)-1,3,4,5-tetrahydrobenzo[g]indazol-2-yl]propan-1-one Traditional Name: 1-[8-methoxy-3-(3-nitrophenyl)-1,3,4,5-tetrahydrobenz[g]indazol-2-yl]propan-1-one Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C2=C(N1)C3=C(CC2)C=CC(=C3)OC)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1C(C2=C(N1)C3=C(CC2)C=CC(=C3)OC)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-3-19(25)23-21(14-5-4-6-15(11-14)24(26)27)17-10-8-13-7-9-16(28-2)12-18(13)20(17)22-23/h4-7,9,11-12,21-22H,3,8,10H2,1-2H3