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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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