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

Systemtic Name: 7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-6-nitro-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid Openeye Name: 7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylic acid CAS Name: 7-[1-[(tert-butylamino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylic acid Traditional Name: 7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-cyclopropyl-4-keto-6-nitro-1,8-naphthyridine-3-carboxylic acid Formula: C26H27N5O6 MolecularWeight: 505.52248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1C2=CC=CC=C2CCN1C3=C(C=C4C(=O)C(=CN(C4=N3)C5CC5)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)C1C2=CC=CC=C2CCN1C3=C(C=C4C(=O)C(=CN(C4=N3)C5CC5)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C26H27N5O6/c1-26(2,3)28-24(33)20-16-7-5-4-6-14(16)10-11-29(20)23-19(31(36)37)12-17-21(32)18(25(34)35)13-30(15-8-9-15)22(17)27-23/h4-7,12-13,15,20H,8-11H2,1-3H3,(H,28,33)(H,34,35)