4-[(5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-nitro-benzamide

Systemtic Name: 4-[(5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-nitro-benzamide Openeye Name: 4-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-nitro-benzamide CAS Name: 4-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-nitrobenzamide IUPAC Name: 4-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-nitrobenzamide Traditional Name: 4-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-nitro-benzamide Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CN(CC(C2=C(C=C1)OC)O)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=C2CN(CC(C2=C(C=C1)OC)O)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6/c1-27-16-5-6-17(28-2)18-13(16)9-21(10-15(18)23)8-12-4-3-11(19(20)24)7-14(12)22(25)26/h3-7,15,23H,8-10H2,1-2H3,(H2,20,24)