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

Systemtic Name: 6-nitro-3-oxidanylidene-7-[4-[(phenylmethyl)carbamoyloxymethyl]imidazol-1-yl]-4H-quinoxaline-2-carboxylic acid Openeye Name: 7-[4-(benzylcarbamoyloxymethyl)imidazol-1-yl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid CAS Name: 6-nitro-3-oxo-7-[4-[[oxo-[(phenylmethyl)amino]methoxy]methyl]-1-imidazolyl]-4H-quinoxaline-2-carboxylic acid IUPAC Name: 7-[4-(benzylcarbamoyloxymethyl)imidazol-1-yl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 7-[4-(benzylcarbamoyloxymethyl)imidazol-1-yl]-3-keto-6-nitro-4H-quinoxaline-2-carboxylic acid Formula: C21H16N6O7 MolecularWeight: 464.38774

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H16N6O7/c28-19-18(20(29)30)24-14-6-16(17(27(32)33)7-15(14)25-19)26-9-13(23-11-26)10-34-21(31)22-8-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2,(H,22,31)(H,25,28)(H,29,30)