methyl 2-nitro-3-(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)-3-oxidanyl-propanoate

Systemtic Name: methyl 2-nitro-3-(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-nitro-3-(1-oxido-4-oxo-quinoxalin-4-ium-2-yl)propanoate CAS Name: 3-hydroxy-2-nitro-3-(1-oxido-4-oxo-2-quinoxalin-4-iumyl)propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-nitro-3-(1-oxido-4-oxoquinoxalin-4-ium-2-yl)propanoate Traditional Name: 3-hydroxy-3-(4-keto-1-oxido-quinoxalin-4-ium-2-yl)-2-nitro-propionic acid methyl ester Formula: C12H11N3O7 MolecularWeight: 309.23164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1=C[N+](=O)C2=CC=CC=C2N1[O-])O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(C(C1=C[N+](=O)C2=CC=CC=C2N1[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O7/c1-22-12(17)10(15(20)21)11(16)9-6-13(18)7-4-2-3-5-8(7)14(9)19/h2-6,10-11,16H,1H3