7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-5-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-5-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-6-fluoro-8-methoxy-5-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[1-[(tert-butylamino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-6-fluoro-8-methoxy-5-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-6-fluoro-8-methoxy-5-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-5-nitro-quinoline-3-carboxylic acid Formula: C28H29FN4O7 MolecularWeight: 552.550863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1C2=CC=CC=C2CCN1C3=C(C4=C(C(=C3F)[N+](=O)[O-])C(=O)C(=CN4C5CC5)C(=O)O)OC

Isomeric SMILES

CC(C)(C)NC(=O)C1C2=CC=CC=C2CCN1C3=C(C4=C(C(=C3F)[N+](=O)[O-])C(=O)C(=CN4C5CC5)C(=O)O)OC

InChI

InChI=1S/C28H29FN4O7/c1-28(2,3)30-26(35)20-16-8-6-5-7-14(16)11-12-31(20)23-19(29)21(33(38)39)18-22(25(23)40-4)32(15-9-10-15)13-17(24(18)34)27(36)37/h5-8,13,15,20H,9-12H2,1-4H3,(H,30,35)(H,36,37)