(3-nitrophenyl)methyl 4-[(5-bromanylquinolin-8-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (3-nitrophenyl)methyl 4-[(5-bromanylquinolin-8-yl)amino]-4-oxidanylidene-butanoate Openeye Name: (3-nitrophenyl)methyl 4-[(5-bromo-8-quinolyl)amino]-4-oxo-butanoate CAS Name: 4-[(5-bromo-8-quinolinyl)amino]-4-oxobutanoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 4-[(5-bromoquinolin-8-yl)amino]-4-oxobutanoate Traditional Name: 4-[(5-bromo-8-quinolyl)amino]-4-keto-butyric acid (3-nitrobenzyl) ester Formula: C20H16BrN3O5 MolecularWeight: 458.26214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])COC(=O)CCC(=O)NC2=C3C(=C(C=C2)Br)C=CC=N3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])COC(=O)CCC(=O)NC2=C3C(=C(C=C2)Br)C=CC=N3

InChI

InChI=1S/C20H16BrN3O5/c21-16-6-7-17(20-15(16)5-2-10-22-20)23-18(25)8-9-19(26)29-12-13-3-1-4-14(11-13)24(27)28/h1-7,10-11H,8-9,12H2,(H,23,25)