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

Systemtic Name: 4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-3-nitro-benzaldehyde Openeye Name: 4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]-3-nitro-benzaldehyde CAS Name: 4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-nitrobenzaldehyde IUPAC Name: 4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3-nitrobenzaldehyde Traditional Name: 4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]-3-nitro-benzaldehyde Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)COC3=C(C=C(C=C3)C=O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)COC3=C(C=C(C=C3)C=O)[N+](=O)[O-])OC

InChI

InChI=1S/C20H20N2O7/c1-27-18-8-14-5-6-21(10-15(14)9-19(18)28-2)20(24)12-29-17-4-3-13(11-23)7-16(17)22(25)26/h3-4,7-9,11H,5-6,10,12H2,1-2H3