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

Systemtic Name: 1-[7-methoxy-3-(2-nitrophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]propan-1-one Openeye Name: 1-[7-methoxy-3-(2-nitrophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]propan-1-one CAS Name: 1-[7-methoxy-3-(2-nitrophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]-1-propanone IUPAC Name: 1-[7-methoxy-3-(2-nitrophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]propan-1-one Traditional Name: 1-[7-methoxy-3-(2-nitrophenyl)-3,3a,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(C2CCC3=C(C2=N1)C=CC(=C3)OC)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

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

InChI

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