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

Systemtic Name: 4-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxo-butanoic acid CAS Name: 4-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxobutanoic acid IUPAC Name: 4-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxobutanoic acid Traditional Name: 4-[6,7-dimethoxy-1-(3-nitrophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-keto-butyric acid Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7/c1-29-17-11-13-8-9-22(19(24)6-7-20(25)26)21(16(13)12-18(17)30-2)14-4-3-5-15(10-14)23(27)28/h3-5,10-12,21H,6-9H2,1-2H3,(H,25,26)