2-[8-[(methoxycarbonylamino)methyl]-6-nitro-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl]ethanoic acid

Systemtic Name: 2-[8-[(methoxycarbonylamino)methyl]-6-nitro-3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl]ethanoic acid Openeye Name: 2-[8-[(methoxycarbonylamino)methyl]-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid CAS Name: 2-[8-[(methoxycarbonylamino)methyl]-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid IUPAC Name: 2-[8-[(methoxycarbonylamino)methyl]-6-nitro-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid Traditional Name: 2-[8-[(carbomethoxyamino)methyl]-3-keto-6-nitro-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid Formula: C13H14N4O7 MolecularWeight: 338.27286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O7/c1-24-13(21)14-5-6-2-7(17(22)23)3-8-11(6)15-9(4-10(18)19)12(20)16-8/h2-3,9,15H,4-5H2,1H3,(H,14,21)(H,16,20)(H,18,19)