1-[7-methoxy-3-(4-nitrophenyl)-1,3,4,5-tetrahydrobenzo[g]indazol-2-yl]propan-1-one

Systemtic Name: 1-[7-methoxy-3-(4-nitrophenyl)-1,3,4,5-tetrahydrobenzo[g]indazol-2-yl]propan-1-one Openeye Name: 1-[7-methoxy-3-(4-nitrophenyl)-1,3,4,5-tetrahydrobenzo[g]indazol-2-yl]propan-1-one CAS Name: 1-[7-methoxy-3-(4-nitrophenyl)-1,3,4,5-tetrahydrobenzo[g]indazol-2-yl]-1-propanone IUPAC Name: 1-[7-methoxy-3-(4-nitrophenyl)-1,3,4,5-tetrahydrobenzo[g]indazol-2-yl]propan-1-one Traditional Name: 1-[7-methoxy-3-(4-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=C(C=C3)OC)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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