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

Systemtic Name: 1-tert-butyl-7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-6-nitro-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid Openeye Name: 1-tert-butyl-7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylic acid CAS Name: 1-tert-butyl-7-[1-[(tert-butylamino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 1-tert-butyl-7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-6-nitro-4-oxo-1,8-naphthyridine-3-carboxylic acid Traditional Name: 1-tert-butyl-7-[1-(tert-butylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-keto-6-nitro-1,8-naphthyridine-3-carboxylic acid Formula: C27H31N5O6 MolecularWeight: 521.56494

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

InChI

InChI=1S/C27H31N5O6/c1-26(2,3)29-24(34)20-16-10-8-7-9-15(16)11-12-30(20)23-19(32(37)38)13-17-21(33)18(25(35)36)14-31(22(17)28-23)27(4,5)6/h7-10,13-14,20H,11-12H2,1-6H3,(H,29,34)(H,35,36)