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

Systemtic Name: (4-bromophenyl)-[3-(hydroxymethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]methanone Openeye Name: (4-bromophenyl)-[3-(hydroxymethyl)-4-oxido-1-oxo-quinoxalin-1-ium-2-yl]methanone CAS Name: (4-bromophenyl)-[3-(hydroxymethyl)-4-oxido-1-oxo-2-quinoxalin-1-iumyl]methanone IUPAC Name: (4-bromophenyl)-[3-(hydroxymethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-yl]methanone Traditional Name: (4-bromophenyl)-(1-keto-3-methylol-4-oxido-quinoxalin-1-ium-2-yl)methanone Formula: C16H11BrN2O4 MolecularWeight: 375.17354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrN2O4/c17-11-7-5-10(6-8-11)16(21)15-14(9-20)18(22)12-3-1-2-4-13(12)19(15)23/h1-8,20H,9H2