ethyl 1-tert-butyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-tert-butyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-nitro-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-tert-butyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-nitro-4-oxo-quinoline-3-carboxylate CAS Name: 1-tert-butyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-nitro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-tert-butyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-nitro-4-oxoquinoline-3-carboxylate Traditional Name: 1-tert-butyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-6-nitro-quinoline-3-carboxylic acid ethyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCC4=CC=CC=C4C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCC4=CC=CC=C4C3)C(C)(C)C

InChI

InChI=1S/C25H27N3O5/c1-5-33-24(30)19-15-27(25(2,3)4)20-13-21(22(28(31)32)12-18(20)23(19)29)26-11-10-16-8-6-7-9-17(16)14-26/h6-9,12-13,15H,5,10-11,14H2,1-4H3