methyl 1-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 1-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate Openeye Name: methyl 1-[2-(3-bromoanilino)-2-oxo-ethyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[2-(3-bromoanilino)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3-bromoanilino)-2-oxoethyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[2-(3-bromoanilino)-2-keto-ethyl]pyridin-1-ium-3-carboxylic acid methyl ester Formula: C15H14BrN2O3+ MolecularWeight: 350.18726

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C[N+](=CC=C1)CC(=O)NC2=CC(=CC=C2)Br

Isomeric SMILES

COC(=O)C1=C[N+](=CC=C1)CC(=O)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C15H13BrN2O3/c1-21-15(20)11-4-3-7-18(9-11)10-14(19)17-13-6-2-5-12(16)8-13/h2-9H,10H2,1H3/p+1