1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-7-methoxy-5-nitro-6-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-7-methoxy-5-nitro-6-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-6-hydroxy-7-methoxy-5-nitro-3,4-dihydro-1H-isoquinoline-2-carbaldehyde CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6-hydroxy-7-methoxy-5-nitro-3,4-dihydro-1H-isoquinoline-2-carboxaldehyde IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6-hydroxy-7-methoxy-5-nitro-3,4-dihydro-1H-isoquinoline-2-carbaldehyde Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-6-hydroxy-7-methoxy-5-nitro-3,4-dihydro-1H-isoquinoline-2-carbaldehyde Formula: C20H21N3O9 MolecularWeight: 447.39544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC2C3=CC(=C(C(=C3CCN2C=O)[N+](=O)[O-])O)OC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC2C3=CC(=C(C(=C3CCN2C=O)[N+](=O)[O-])O)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C20H21N3O9/c1-30-16-7-11(14(22(26)27)9-17(16)31-2)6-15-13-8-18(32-3)20(25)19(23(28)29)12(13)4-5-21(15)10-24/h7-10,15,25H,4-6H2,1-3H3