4-[[2-(3-carboxyoxy-7-nitro-2-oxidanylidene-1H-quinoxalin-6-yl)-1H-imidazol-5-yl]methoxycarbonylamino]benzoic acid

Systemtic Name: 4-[[2-(3-carboxyoxy-7-nitro-2-oxidanylidene-1H-quinoxalin-6-yl)-1H-imidazol-5-yl]methoxycarbonylamino]benzoic acid Openeye Name: 4-[[2-(3-carboxyoxy-7-nitro-2-oxo-1H-quinoxalin-6-yl)-1H-imidazol-5-yl]methoxycarbonylamino]benzoic acid CAS Name: 4-[[[2-(3-carboxyoxy-7-nitro-2-oxo-1H-quinoxalin-6-yl)-1H-imidazol-5-yl]methoxy-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(3-carboxyoxy-7-nitro-2-oxo-1H-quinoxalin-6-yl)-1H-imidazol-5-yl]methoxycarbonylamino]benzoic acid Traditional Name: 4-[[2-(3-carboxyoxy-2-keto-7-nitro-1H-quinoxalin-6-yl)-1H-imidazol-5-yl]methoxycarbonylamino]benzoic acid Formula: C21H14N6O10 MolecularWeight: 510.37006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)OCC2=CN=C(N2)C3=CC4=C(C=C3[N+](=O)[O-])NC(=O)C(=N4)OC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)OCC2=CN=C(N2)C3=CC4=C(C=C3[N+](=O)[O-])NC(=O)C(=N4)OC(=O)O

InChI

InChI=1S/C21H14N6O10/c28-17-18(37-21(32)33)26-13-5-12(15(27(34)35)6-14(13)25-17)16-22-7-11(23-16)8-36-20(31)24-10-3-1-9(2-4-10)19(29)30/h1-7H,8H2,(H,22,23)(H,24,31)(H,25,28)(H,29,30)(H,32,33)