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

Systemtic Name: 2-[[6-ethyl-7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl-methyl-amino]ethanoic acid Openeye Name: 2-[(6-ethyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methyl-amino]acetic acid CAS Name: 2-[(6-ethyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methylamino]acetic acid IUPAC Name: 2-[(6-ethyl-7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl-methylamino]acetic acid Traditional Name: 2-[(6-ethyl-2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methyl-methyl-amino]acetic acid Formula: C14H16N4O6 MolecularWeight: 336.30004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1CN(C)CC(=O)O)NC(=O)C(=O)N2)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C2C(=C1CN(C)CC(=O)O)NC(=O)C(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O6/c1-3-7-8(5-17(2)6-11(19)20)12-9(4-10(7)18(23)24)15-13(21)14(22)16-12/h4H,3,5-6H2,1-2H3,(H,15,21)(H,16,22)(H,19,20)