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

Systemtic Name: 7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[1-[(tert-butylamino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-4-keto-6-nitro-quinoline-3-carboxylic acid Formula: C27H28N4O6 MolecularWeight: 504.53442

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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)C5CC5)[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)C5CC5)[N+](=O)[O-]

InChI

InChI=1S/C27H28N4O6/c1-27(2,3)28-25(33)23-17-7-5-4-6-15(17)10-11-29(23)21-13-20-18(12-22(21)31(36)37)24(32)19(26(34)35)14-30(20)16-8-9-16/h4-7,12-14,16,23H,8-11H2,1-3H3,(H,28,33)(H,34,35)