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

Systemtic Name: 1-tert-butyl-7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-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]-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-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-6-nitro-quinoline-3-carboxylic acid Formula: C28H32N4O6 MolecularWeight: 520.57688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1C2=CC=CC=C2CCN1C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)C1C2=CC=CC=C2CCN1C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C28H32N4O6/c1-27(2,3)29-25(34)23-17-10-8-7-9-16(17)11-12-30(23)21-14-20-18(13-22(21)32(37)38)24(33)19(26(35)36)15-31(20)28(4,5)6/h7-10,13-15,23H,11-12H2,1-6H3,(H,29,34)(H,35,36)