7-[5-[(2-methylphenyl)carbamoyloxymethyl]-1H-imidazol-2-yl]-6-nitro-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid

Systemtic Name: 7-[5-[(2-methylphenyl)carbamoyloxymethyl]-1H-imidazol-2-yl]-6-nitro-3-oxidanylidene-4H-quinoxaline-2-carboxylic acid Openeye Name: 6-nitro-7-[5-(o-tolylcarbamoyloxymethyl)-1H-imidazol-2-yl]-3-oxo-4H-quinoxaline-2-carboxylic acid CAS Name: 7-[5-[[(2-methylanilino)-oxomethoxy]methyl]-1H-imidazol-2-yl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid IUPAC Name: 7-[5-[(2-methylphenyl)carbamoyloxymethyl]-1H-imidazol-2-yl]-6-nitro-3-oxo-4H-quinoxaline-2-carboxylic acid Traditional Name: 3-keto-6-nitro-7-[5-(o-tolylcarbamoyloxymethyl)-1H-imidazol-2-yl]-4H-quinoxaline-2-carboxylic acid Formula: C21H16N6O7 MolecularWeight: 464.38774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)OCC2=CN=C(N2)C3=CC4=C(C=C3[N+](=O)[O-])NC(=O)C(=N4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)OCC2=CN=C(N2)C3=CC4=C(C=C3[N+](=O)[O-])NC(=O)C(=N4)C(=O)O

InChI

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