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

Systemtic Name: 1-tert-butyl-7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-8-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-8-methyl-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-7-[1-[(tert-butylamino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-8-methyl-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-8-methyl-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-keto-8-methyl-6-nitro-quinoline-3-carboxylic acid Formula: C29H34N4O6 MolecularWeight: 534.60346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCC4=CC=CC=C4C3C(=O)NC(C)(C)C)[N+](=O)[O-])C(=O)C(=CN2C(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCC4=CC=CC=C4C3C(=O)NC(C)(C)C)[N+](=O)[O-])C(=O)C(=CN2C(C)(C)C)C(=O)O

InChI

InChI=1S/C29H34N4O6/c1-16-22-19(25(34)20(27(36)37)15-32(22)29(5,6)7)14-21(33(38)39)23(16)31-13-12-17-10-8-9-11-18(17)24(31)26(35)30-28(2,3)4/h8-11,14-15,24H,12-13H2,1-7H3,(H,30,35)(H,36,37)