6-(3-azanylpropyl)-2,3-dimethoxy-9-nitro-indeno[1,2-c]isoquinoline-5,11-dione hydrochloride

Systemtic Name: 6-(3-azanylpropyl)-2,3-dimethoxy-9-nitro-indeno[1,2-c]isoquinoline-5,11-dione hydrochloride Openeye Name: 6-(3-aminopropyl)-2,3-dimethoxy-9-nitro-indeno[1,2-c]isoquinoline-5,11-dione hydrochloride CAS Name: 6-(3-aminopropyl)-2,3-dimethoxy-9-nitroindeno[1,2-c]isoquinoline-5,11-dione hydrochloride IUPAC Name: 6-(3-aminopropyl)-2,3-dimethoxy-9-nitroindeno[1,2-c]isoquinoline-5,11-dione hydrochloride Traditional Name: 6-(3-aminopropyl)-2,3-dimethoxy-9-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(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])N(C2=O)CCCN)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])N(C2=O)CCCN)OC.Cl

InChI

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