2-[5-(2-dimethylaminoethyloxy)-2-nitro-phenyl]-5,6-dimethoxy-3-oxidanyl-inden-1-one hydrochloride

Systemtic Name: 2-[5-(2-dimethylaminoethyloxy)-2-nitro-phenyl]-5,6-dimethoxy-3-oxidanyl-inden-1-one hydrochloride Openeye Name: 2-[5-(2-dimethylaminoethyloxy)-2-nitro-phenyl]-3-hydroxy-5,6-dimethoxy-inden-1-one hydrochloride CAS Name: 2-[5-(2-dimethylaminoethyloxy)-2-nitrophenyl]-3-hydroxy-5,6-dimethoxy-1-indenone hydrochloride IUPAC Name: 2-[5-(2-dimethylaminoethyloxy)-2-nitrophenyl]-3-hydroxy-5,6-dimethoxyinden-1-one hydrochloride Traditional Name: 2-[5-(2-dimethylaminoethyloxy)-2-nitro-phenyl]-3-hydroxy-5,6-dimethoxy-inden-1-one hydrochloride Formula: C21H23ClN2O7 MolecularWeight: 450.86952

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC(=C(C=C1)[N+](=O)[O-])C2=C(C3=CC(=C(C=C3C2=O)OC)OC)O.Cl

Isomeric SMILES

CN(C)CCOC1=CC(=C(C=C1)[N+](=O)[O-])C2=C(C3=CC(=C(C=C3C2=O)OC)OC)O.Cl

InChI

InChI=1S/C21H22N2O7.ClH/c1-22(2)7-8-30-12-5-6-16(23(26)27)15(9-12)19-20(24)13-10-17(28-3)18(29-4)11-14(13)21(19)25;/h5-6,9-11,24H,7-8H2,1-4H3;1H