(3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 2-bromanylbenzoate

Systemtic Name: (3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 2-bromanylbenzoate Openeye Name: (3-acetyl-4-oxido-quinoxalin-4-ium-2-yl)methyl 2-bromobenzoate CAS Name: 2-bromobenzoic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-bromobenzoate Traditional Name: 2-bromobenzoic acid (3-acetyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C18H13BrN2O4 MolecularWeight: 401.21082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=CC=C3Br)[O-]

Isomeric SMILES

CC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=CC=C3Br)[O-]

InChI

InChI=1S/C18H13BrN2O4/c1-11(22)17-15(20-14-8-4-5-9-16(14)21(17)24)10-25-18(23)12-6-2-3-7-13(12)19/h2-9H,10H2,1H3