4-[(6-nitroquinolin-2-yl)amino]butanoic acid

Systemtic Name: 4-[(6-nitroquinolin-2-yl)amino]butanoic acid Openeye Name: 4-[(6-nitro-2-quinolyl)amino]butanoic acid CAS Name: 4-[(6-nitro-2-quinolinyl)amino]butanoic acid IUPAC Name: 4-[(6-nitroquinolin-2-yl)amino]butanoic acid Traditional Name: 4-[(6-nitro-2-quinolyl)amino]butyric acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=N2)NCCCC(=O)O)C=C1[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC(=N2)NCCCC(=O)O)C=C1[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c17-13(18)2-1-7-14-12-6-3-9-8-10(16(19)20)4-5-11(9)15-12/h3-6,8H,1-2,7H2,(H,14,15)(H,17,18)