2-[(5-nitroquinolin-6-yl)amino]pentanoic acid

Systemtic Name: 2-[(5-nitroquinolin-6-yl)amino]pentanoic acid Openeye Name: 2-[(5-nitro-6-quinolyl)amino]pentanoic acid CAS Name: 2-[(5-nitro-6-quinolinyl)amino]pentanoic acid IUPAC Name: 2-[(5-nitroquinolin-6-yl)amino]pentanoic acid Traditional Name: 2-[(5-nitro-6-quinolyl)amino]valeric acid Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC1=C(C2=C(C=C1)N=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC(C(=O)O)NC1=C(C2=C(C=C1)N=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O4/c1-2-4-12(14(18)19)16-11-7-6-10-9(5-3-8-15-10)13(11)17(20)21/h3,5-8,12,16H,2,4H2,1H3,(H,18,19)