4-[(7-nitro-2-oxidanylidene-3,4-dihydro-1H-quinoxalin-5-yl)methylamino]butanoic acid

Systemtic Name: 4-[(7-nitro-2-oxidanylidene-3,4-dihydro-1H-quinoxalin-5-yl)methylamino]butanoic acid Openeye Name: 4-[(7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl)methylamino]butanoic acid CAS Name: 4-[(7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl)methylamino]butanoic acid IUPAC Name: 4-[(7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl)methylamino]butanoic acid Traditional Name: 4-[(2-keto-7-nitro-3,4-dihydro-1H-quinoxalin-5-yl)methylamino]butyric acid Formula: C13H16N4O5 MolecularWeight: 308.28994

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(N1)C(=CC(=C2)[N+](=O)[O-])CNCCCC(=O)O

Isomeric SMILES

C1C(=O)NC2=C(N1)C(=CC(=C2)[N+](=O)[O-])CNCCCC(=O)O

InChI

InChI=1S/C13H16N4O5/c18-11-7-15-13-8(6-14-3-1-2-12(19)20)4-9(17(21)22)5-10(13)16-11/h4-5,14-15H,1-3,6-7H2,(H,16,18)(H,19,20)