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

Systemtic Name: (4-azanyl-3-nitro-phenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: (4-amino-3-nitro-phenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: (4-amino-3-nitrophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: (4-amino-3-nitrophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: (4-amino-3-nitro-phenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=C(C=C3)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)18(22)12-3-4-14(19)15(7-12)21(23)24/h3-4,7-9H,5-6,10,19H2,1-2H3