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

Systemtic Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzaldehyde Openeye Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzaldehyde CAS Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzaldehyde IUPAC Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzaldehyde Traditional Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzaldehyde Formula: C18H18N2O5 MolecularWeight: 342.34592

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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+](=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c1-24-17-8-13-5-6-19(10-14(13)9-18(17)25-2)15-4-3-12(11-21)7-16(15)20(22)23/h3-4,7-9,11H,5-6,10H2,1-2H3