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

Systemtic Name: 7-[4-[(4-methylphenyl)carbamoyloxymethyl]imidazol-1-yl]-6-nitro-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid Openeye Name: 6-nitro-3-oxo-7-[4-(p-tolylcarbamoyloxymethyl)imidazol-1-yl]-4H-quinoxaline-2-carboxylic acid CAS Name: 7-[4-[[(4-methylanilino)-oxomethoxy]methyl]-1-imidazolyl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 7-[4-[(4-methylphenyl)carbamoyloxymethyl]imidazol-1-yl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 3-keto-6-nitro-7-[4-(p-tolylcarbamoyloxymethyl)imidazol-1-yl]-4H-quinoxaline-2-carboxylic acid Formula: C21H16N6O7 MolecularWeight: 464.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)OCC2=CN(C=N2)C3=C(C=C4C(=C3)N=C(C(=O)N4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)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/C21H16N6O7/c1-11-2-4-12(5-3-11)23-21(31)34-9-13-8-26(10-22-13)16-6-14-15(7-17(16)27(32)33)25-19(28)18(24-14)20(29)30/h2-8,10H,9H2,1H3,(H,23,31)(H,25,28)(H,29,30)