8-(acetamidomethyl)-6-nitro-3-oxidanylidene-2,4-dihydro-1H-quinoxaline-2-carboxylic acid

Systemtic Name: 8-(acetamidomethyl)-6-nitro-3-oxidanylidene-2,4-dihydro-1H-quinoxaline-2-carboxylic acid Openeye Name: 8-(acetamidomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylic acid CAS Name: 8-(acetamidomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylic acid IUPAC Name: 8-(acetamidomethyl)-6-nitro-3-oxo-2,4-dihydro-1H-quinoxaline-2-carboxylic acid Traditional Name: 8-(acetamidomethyl)-3-keto-6-nitro-2,4-dihydro-1H-quinoxaline-2-carboxylic acid Formula: C12H12N4O6 MolecularWeight: 308.24688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC(=CC2=C1NC(C(=O)N2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCC1=CC(=CC2=C1NC(C(=O)N2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O6/c1-5(17)13-4-6-2-7(16(21)22)3-8-9(6)15-10(12(19)20)11(18)14-8/h2-3,10,15H,4H2,1H3,(H,13,17)(H,14,18)(H,19,20)