1-[[3,5-bis(bromanyl)-4-methoxy-phenyl]methyl]-7-nitro-6-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 1-[[3,5-bis(bromanyl)-4-methoxy-phenyl]methyl]-7-nitro-6-oxidanyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 1-[(3,5-dibromo-4-methoxy-phenyl)methyl]-6-hydroxy-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 1-[(3,5-dibromo-4-methoxyphenyl)methyl]-6-hydroxy-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 1-[(3,5-dibromo-4-methoxyphenyl)methyl]-6-hydroxy-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 1-(3,5-dibromo-4-methoxy-benzyl)-6-hydroxy-7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C18H16Br2N2O6 MolecularWeight: 516.13744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)CC2C3=CC(=C(C=C3CCN2C(=O)O)O)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1Br)CC2C3=CC(=C(C=C3CCN2C(=O)O)O)[N+](=O)[O-])Br

InChI

InChI=1S/C18H16Br2N2O6/c1-28-17-12(19)4-9(5-13(17)20)6-14-11-8-15(22(26)27)16(23)7-10(11)2-3-21(14)18(24)25/h4-5,7-8,14,23H,2-3,6H2,1H3,(H,24,25)