2-[[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]carbonyl]benzoic acid

Systemtic Name: 2-[[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]carbonyl]benzoic acid Openeye Name: 2-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]benzoic acid CAS Name: 2-[[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]benzoic acid IUPAC Name: 2-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]benzoic acid Traditional Name: 2-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]benzoic acid Formula: C25H22N2O7 MolecularWeight: 462.45138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=CC=C3C(=O)O)C4=CC(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=CC=C3C(=O)O)C4=CC(=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C25H22N2O7/c1-33-21-13-15-10-11-26(24(28)18-8-3-4-9-19(18)25(29)30)23(20(15)14-22(21)34-2)16-6-5-7-17(12-16)27(31)32/h3-9,12-14,23H,10-11H2,1-2H3,(H,29,30)