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

Systemtic Name: 3-[(7-nitro-2-oxidanylidene-3,4-dihydro-1H-quinoxalin-5-yl)methylamino]propanoic acid Openeye Name: 3-[(7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl)methylamino]propanoic acid CAS Name: 3-[(7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl)methylamino]propanoic acid IUPAC Name: 3-[(7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl)methylamino]propanoic acid Traditional Name: 3-[(2-keto-7-nitro-3,4-dihydro-1H-quinoxalin-5-yl)methylamino]propionic acid Formula: C12H14N4O5 MolecularWeight: 294.26336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O5/c17-10-6-14-12-7(5-13-2-1-11(18)19)3-8(16(20)21)4-9(12)15-10/h3-4,13-14H,1-2,5-6H2,(H,15,17)(H,18,19)