1-tert-butyl-7-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-8-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-tert-butyl-7-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-8-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-7-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-8-methyl-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-7-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-8-methyl-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-7-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-8-methyl-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-7-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-8-methyl-6-nitro-quinoline-3-carboxylic acid Formula: C26H29N3O7 MolecularWeight: 495.52436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCC4=CC(=C(C=C4C3)OC)OC)[N+](=O)[O-])C(=O)C(=CN2C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCC4=CC(=C(C=C4C3)OC)OC)[N+](=O)[O-])C(=O)C(=CN2C(C)(C)C)C(=O)O

InChI

InChI=1S/C26H29N3O7/c1-14-22-17(24(30)18(25(31)32)13-28(22)26(2,3)4)11-19(29(33)34)23(14)27-8-7-15-9-20(35-5)21(36-6)10-16(15)12-27/h9-11,13H,7-8,12H2,1-6H3,(H,31,32)