7-[4-(carboxymethyl)imidazol-1-yl]-6-nitro-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid

Systemtic Name: 7-[4-(carboxymethyl)imidazol-1-yl]-6-nitro-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid Openeye Name: 7-[4-(carboxymethyl)imidazol-1-yl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid CAS Name: 7-[4-(carboxymethyl)-1-imidazolyl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 7-[4-(carboxymethyl)imidazol-1-yl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 7-[4-(carboxymethyl)imidazol-1-yl]-3-keto-6-nitro-4H-quinoxaline-2-carboxylic acid Formula: C14H9N5O7 MolecularWeight: 359.25056

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=CC(=C1[N+](=O)[O-])N3C=C(N=C3)CC(=O)O)N=C(C(=O)N2)C(=O)O

Isomeric SMILES

C1=C2C(=CC(=C1[N+](=O)[O-])N3C=C(N=C3)CC(=O)O)N=C(C(=O)N2)C(=O)O

InChI

InChI=1S/C14H9N5O7/c20-11(21)1-6-4-18(5-15-6)9-2-7-8(3-10(9)19(25)26)17-13(22)12(16-7)14(23)24/h2-5H,1H2,(H,17,22)(H,20,21)(H,23,24)