(3-chlorophenyl)-[3-(hydroxymethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]methanone

Systemtic Name: (3-chlorophenyl)-[3-(hydroxymethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]methanone Openeye Name: (3-chlorophenyl)-[3-(hydroxymethyl)-4-oxido-1-oxo-quinoxalin-1-ium-2-yl]methanone CAS Name: (3-chlorophenyl)-[3-(hydroxymethyl)-4-oxido-1-oxo-2-quinoxalin-1-iumyl]methanone IUPAC Name: (3-chlorophenyl)-[3-(hydroxymethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-yl]methanone Traditional Name: (3-chlorophenyl)-(1-keto-3-methylol-4-oxido-quinoxalin-1-ium-2-yl)methanone Formula: C16H11ClN2O4 MolecularWeight: 330.72254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=C([N+]2=O)C(=O)C3=CC(=CC=C3)Cl)CO)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=C([N+]2=O)C(=O)C3=CC(=CC=C3)Cl)CO)[O-]

InChI

InChI=1S/C16H11ClN2O4/c17-11-5-3-4-10(8-11)16(21)15-14(9-20)18(22)12-6-1-2-7-13(12)19(15)23/h1-8,20H,9H2