4-[methyl-(8-nitroisoquinolin-5-yl)amino]butanoic acid

Systemtic Name: 4-[methyl-(8-nitroisoquinolin-5-yl)amino]butanoic acid Openeye Name: 4-[methyl-(8-nitro-5-isoquinolyl)amino]butanoic acid CAS Name: 4-[methyl-(8-nitro-5-isoquinolinyl)amino]butanoic acid IUPAC Name: 4-[methyl-(8-nitroisoquinolin-5-yl)amino]butanoic acid Traditional Name: 4-[methyl-(8-nitro-5-isoquinolyl)amino]butyric acid Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C1=C2C=CN=CC2=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC(=O)O)C1=C2C=CN=CC2=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O4/c1-16(8-2-3-14(18)19)12-4-5-13(17(20)21)11-9-15-7-6-10(11)12/h4-7,9H,2-3,8H2,1H3,(H,18,19)