2-[(6-methyl-2-methylidene-7-nitro-3-oxidanylidene-1,4-dihydroquinoxalin-5-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(6-methyl-2-methylidene-7-nitro-3-oxidanylidene-1,4-dihydroquinoxalin-5-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(6-methyl-2-methylene-7-nitro-3-oxo-1,4-dihydroquinoxaline-5-carbonyl)amino]acetic acid CAS Name: 2-[[(6-methyl-2-methylene-7-nitro-3-oxo-1,4-dihydroquinoxalin-5-yl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(6-methyl-2-methylidene-7-nitro-3-oxo-1,4-dihydroquinoxaline-5-carbonyl)amino]acetic acid Traditional Name: 2-[(3-keto-6-methyl-2-methylene-7-nitro-1,4-dihydroquinoxaline-5-carbonyl)amino]acetic acid Formula: C13H12N4O6 MolecularWeight: 320.25758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1C(=O)NCC(=O)O)NC(=O)C(=C)N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2C(=C1C(=O)NCC(=O)O)NC(=O)C(=C)N2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O6/c1-5-8(17(22)23)3-7-11(16-12(20)6(2)15-7)10(5)13(21)14-4-9(18)19/h3,15H,2,4H2,1H3,(H,14,21)(H,16,20)(H,18,19)