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

Systemtic Name: 7-[4-[(2-carboxyphenyl)carbamoyloxymethyl]imidazol-1-yl]-6-nitro-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid Openeye Name: 7-[4-[(2-carboxyphenyl)carbamoyloxymethyl]imidazol-1-yl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid CAS Name: 7-[4-[[(2-carboxyanilino)-oxomethoxy]methyl]-1-imidazolyl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 7-[4-[(2-carboxyphenyl)carbamoyloxymethyl]imidazol-1-yl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 7-[4-[(2-carboxyphenyl)carbamoyloxymethyl]imidazol-1-yl]-3-keto-6-nitro-4H-quinoxaline-2-carboxylic acid Formula: C21H14N6O9 MolecularWeight: 494.37066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)OCC2=CN(C=N2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)OCC2=CN(C=N2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H14N6O9/c28-18-17(20(31)32)23-13-5-15(16(27(34)35)6-14(13)24-18)26-7-10(22-9-26)8-36-21(33)25-12-4-2-1-3-11(12)19(29)30/h1-7,9H,8H2,(H,24,28)(H,25,33)(H,29,30)(H,31,32)