1-[(3,4-dimethoxy-2-nitro-phenyl)methyl]isoquinoline

Systemtic Name: 1-[(3,4-dimethoxy-2-nitro-phenyl)methyl]isoquinoline Openeye Name: 1-[(3,4-dimethoxy-2-nitro-phenyl)methyl]isoquinoline CAS Name: 1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline IUPAC Name: 1-[(3,4-dimethoxy-2-nitrophenyl)methyl]isoquinoline Traditional Name: 1-(3,4-dimethoxy-2-nitro-benzyl)isoquinoline Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CC2=NC=CC3=CC=CC=C32)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CC2=NC=CC3=CC=CC=C32)[N+](=O)[O-])OC

InChI

InChI=1S/C18H16N2O4/c1-23-16-8-7-13(17(20(21)22)18(16)24-2)11-15-14-6-4-3-5-12(14)9-10-19-15/h3-10H,11H2,1-2H3