6,7-dimethoxy-1-(3-nitrophenyl)spiro[3H-isoquinoline-4,1'-cyclopentane] hydrochloride

Systemtic Name: 6,7-dimethoxy-1-(3-nitrophenyl)spiro[3H-isoquinoline-4,1'-cyclopentane] hydrochloride Openeye Name: 6,7-dimethoxy-1-(3-nitrophenyl)spiro[3H-isoquinoline-4,1'-cyclopentane] hydrochloride CAS Name: 6,7-dimethoxy-1-(3-nitrophenyl)spiro[3H-isoquinoline-4,1'-cyclopentane] hydrochloride IUPAC Name: 6,7-dimethoxy-1-(3-nitrophenyl)spiro[3H-isoquinoline-4,1'-cyclopentane] hydrochloride Traditional Name: 6,7-dimethoxy-1-(3-nitrophenyl)spiro[3H-isoquinoline-4,1'-cyclopentane] hydrochloride Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NCC23CCCC3)C4=CC(=CC=C4)[N+](=O)[O-])OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NCC23CCCC3)C4=CC(=CC=C4)[N+](=O)[O-])OC.Cl

InChI

InChI=1S/C21H22N2O4.ClH/c1-26-18-11-16-17(12-19(18)27-2)21(8-3-4-9-21)13-22-20(16)14-6-5-7-15(10-14)23(24)25;/h5-7,10-12H,3-4,8-9,13H2,1-2H3;1H