(3-ethanoyl-6-methoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 2-bromanylbenzoate

Systemtic Name: (3-ethanoyl-6-methoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl 2-bromanylbenzoate Openeye Name: (3-acetyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl 2-bromobenzoate CAS Name: 2-bromobenzoic acid (3-acetyl-6-methoxy-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl 2-bromobenzoate Traditional Name: 2-bromobenzoic acid (3-acetyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C19H15BrN2O5 MolecularWeight: 431.2368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN2O5/c1-11(23)18-16(10-27-19(24)13-5-3-4-6-14(13)20)21-15-8-7-12(26-2)9-17(15)22(18)25/h3-9H,10H2,1-2H3