6-(3-azanylpropyl)-7,8-dimethoxy-3-nitro-indeno[1,2-c]isoquinoline-5,11-dione hydrochloride

Systemtic Name: 6-(3-azanylpropyl)-7,8-dimethoxy-3-nitro-indeno[1,2-c]isoquinoline-5,11-dione hydrochloride Openeye Name: 6-(3-aminopropyl)-7,8-dimethoxy-3-nitro-indeno[1,2-c]isoquinoline-5,11-dione hydrochloride CAS Name: 6-(3-aminopropyl)-7,8-dimethoxy-3-nitroindeno[1,2-c]isoquinoline-5,11-dione hydrochloride IUPAC Name: 6-(3-aminopropyl)-7,8-dimethoxy-3-nitroindeno[1,2-c]isoquinoline-5,11-dione hydrochloride Traditional Name: 6-(3-aminopropyl)-7,8-dimethoxy-3-nitro-inden[1,2-c]isoquinoline-5,11-quinone hydrochloride Formula: C21H20ClN3O6 MolecularWeight: 445.853

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCN)OC.Cl

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCN)OC.Cl

InChI

InChI=1S/C21H19N3O6.ClH/c1-29-15-7-6-13-17(20(15)30-2)18-16(19(13)25)12-5-4-11(24(27)28)10-14(12)21(26)23(18)9-3-8-22;/h4-7,10H,3,8-9,22H2,1-2H3;1H