4-(3-methoxy-2-oxidanyl-propoxy)-1-oxidanidyl-3-oxidanylidene-1,2-dihydroquinoxalin-1-ium-2-carbonitrile

Systemtic Name: 4-(3-methoxy-2-oxidanyl-propoxy)-1-oxidanidyl-3-oxidanylidene-1,2-dihydroquinoxalin-1-ium-2-carbonitrile Openeye Name: 4-(2-hydroxy-3-methoxy-propoxy)-1-oxido-3-oxo-1,2-dihydroquinoxalin-1-ium-2-carbonitrile CAS Name: 4-(2-hydroxy-3-methoxypropoxy)-1-oxido-3-oxo-1,2-dihydroquinoxalin-1-ium-2-carbonitrile IUPAC Name: 4-(2-hydroxy-3-methoxypropoxy)-1-oxido-3-oxo-1,2-dihydroquinoxalin-1-ium-2-carbonitrile Traditional Name: 4-(2-hydroxy-3-methoxy-propoxy)-3-keto-1-oxido-1,2-dihydroquinoxalin-1-ium-2-carbonitrile Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

COCC(CON1C2=CC=CC=C2[NH+](C(C1=O)C#N)[O-])O

Isomeric SMILES

COCC(CON1C2=CC=CC=C2[NH+](C(C1=O)C#N)[O-])O

InChI

InChI=1S/C13H15N3O5/c1-20-7-9(17)8-21-16-11-5-3-2-4-10(11)15(19)12(6-14)13(16)18/h2-5,9,12,15,17H,7-8H2,1H3