4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzamide

Systemtic Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzamide Openeye Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzamide CAS Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide IUPAC Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzamide Traditional Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzamide Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])OC

InChI

InChI=1S/C18H19N3O5/c1-25-16-8-11-5-6-20(10-13(11)9-17(16)26-2)14-4-3-12(18(19)22)7-15(14)21(23)24/h3-4,7-9H,5-6,10H2,1-2H3,(H2,19,22)