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

Systemtic Name: 4-[[3-(carboxymethyl)-7-nitro-2-oxidanylidene-3,4-dihydro-1H-quinoxalin-5-yl]methylamino]butanoic acid Openeye Name: 4-[[3-(carboxymethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methylamino]butanoic acid CAS Name: 4-[[3-(carboxymethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methylamino]butanoic acid IUPAC Name: 4-[[3-(carboxymethyl)-7-nitro-2-oxo-3,4-dihydro-1H-quinoxalin-5-yl]methylamino]butanoic acid Traditional Name: 4-[[3-(carboxymethyl)-2-keto-7-nitro-3,4-dihydro-1H-quinoxalin-5-yl]methylamino]butyric acid Formula: C15H18N4O7 MolecularWeight: 366.32602

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C2=C1NC(=O)C(N2)CC(=O)O)CNCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C2=C1NC(=O)C(N2)CC(=O)O)CNCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O7/c20-12(21)2-1-3-16-7-8-4-9(19(25)26)5-10-14(8)17-11(6-13(22)23)15(24)18-10/h4-5,11,16-17H,1-3,6-7H2,(H,18,24)(H,20,21)(H,22,23)