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

Systemtic Name: 7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-8-methyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-8-methyl-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[1-[(tert-butylamino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-8-methyl-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-8-methyl-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-4-keto-8-methyl-6-nitro-quinoline-3-carboxylic acid Formula: C28H30N4O6 MolecularWeight: 518.561

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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(=CN2C5CC5)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCC4=CC=CC=C4C3C(=O)NC(C)(C)C)[N+](=O)[O-])C(=O)C(=CN2C5CC5)C(=O)O

InChI

InChI=1S/C28H30N4O6/c1-15-22-19(25(33)20(27(35)36)14-31(22)17-9-10-17)13-21(32(37)38)23(15)30-12-11-16-7-5-6-8-18(16)24(30)26(34)29-28(2,3)4/h5-8,13-14,17,24H,9-12H2,1-4H3,(H,29,34)(H,35,36)