1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]isoquinoline

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]isoquinoline Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]isoquinoline CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]isoquinoline IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]isoquinoline Traditional Name: 1-(4,5-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/c1-23-17-10-13(16(20(21)22)11-18(17)24-2)9-15-14-6-4-3-5-12(14)7-8-19-15/h3-8,10-11H,9H2,1-2H3