4-[8-[(carboxymethylamino)methyl]-6-nitro-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl]butanoic acid

Systemtic Name: 4-[8-[(carboxymethylamino)methyl]-6-nitro-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl]butanoic acid Openeye Name: 4-[8-[(carboxymethylamino)methyl]-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]butanoic acid CAS Name: 4-[8-[(carboxymethylamino)methyl]-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]butanoic acid IUPAC Name: 4-[8-[(carboxymethylamino)methyl]-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]butanoic acid Traditional Name: 4-[8-[(carboxymethylamino)methyl]-3-keto-6-nitro-2,4-dihydro-1H-quinoxalin-2-yl]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)CCCC(=O)O)CNCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C2=C1NC(=O)C(N2)CCCC(=O)O)CNCC(=O)O)[N+](=O)[O-]

InChI

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