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

Systemtic Name: 2-[[6-methyl-7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]carbonylamino]ethanoic acid Openeye Name: 2-[(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxaline-5-carbonyl)amino]acetic acid CAS Name: 2-[[(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(6-methyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxaline-5-carbonyl)amino]acetic acid Traditional Name: 2-[(2,3-diketo-6-methyl-7-nitro-1,4-dihydroquinoxaline-5-carbonyl)amino]acetic acid Formula: C12H10N4O7 MolecularWeight: 322.2304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N4O7/c1-4-6(16(22)23)2-5-9(15-12(21)11(20)14-5)8(4)10(19)13-3-7(17)18/h2H,3H2,1H3,(H,13,19)(H,14,20)(H,15,21)(H,17,18)