1-[(3,4-dimethoxy-5-nitro-phenyl)methyl]isoquinoline

Systemtic Name: 1-[(3,4-dimethoxy-5-nitro-phenyl)methyl]isoquinoline Openeye Name: 1-[(3,4-dimethoxy-5-nitro-phenyl)methyl]isoquinoline CAS Name: 1-[(3,4-dimethoxy-5-nitrophenyl)methyl]isoquinoline IUPAC Name: 1-[(3,4-dimethoxy-5-nitrophenyl)methyl]isoquinoline Traditional Name: 1-(3,4-dimethoxy-5-nitro-benzyl)isoquinoline Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)[N+](=O)[O-])CC2=NC=CC3=CC=CC=C32

Isomeric SMILES

COC1=CC(=CC(=C1OC)[N+](=O)[O-])CC2=NC=CC3=CC=CC=C32

InChI

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