3-[4-oxidanidyl-1-oxidanylidene-3-[[2-(phenylcarbonyl)hydrazinyl]methyl]quinoxalin-1-ium-2-yl]propanoate

Systemtic Name: 3-[4-oxidanidyl-1-oxidanylidene-3-[[2-(phenylcarbonyl)hydrazinyl]methyl]quinoxalin-1-ium-2-yl]propanoate Openeye Name: 3-[3-[(2-benzoylhydrazino)methyl]-4-oxido-1-oxo-quinoxalin-1-ium-2-yl]propanoate CAS Name: 3-[3-[(benzoylhydrazo)methyl]-4-oxido-1-oxo-2-quinoxalin-1-iumyl]propanoate IUPAC Name: 3-[3-[(2-benzoylhydrazinyl)methyl]-4-oxido-1-oxoquinoxalin-1-ium-2-yl]propanoate Traditional Name: 3-[3-[(N'-benzoylhydrazino)methyl]-1-keto-4-oxido-quinoxalin-1-ium-2-yl]propionate Formula: C19H17N4O5- MolecularWeight: 381.36208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NNCC2=C([N+](=O)C3=CC=CC=C3N2[O-])CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NNCC2=C([N+](=O)C3=CC=CC=C3N2[O-])CCC(=O)[O-]

InChI

InChI=1S/C19H18N4O5/c24-18(25)11-10-16-17(12-20-21-19(26)13-6-2-1-3-7-13)23(28)15-9-5-4-8-14(15)22(16)27/h1-9,20H,10-12H2,(H,21,26)(H,24,25)/p-1