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

Systemtic Name: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: [2-(2-bromoanilino)-2-oxo-ethyl] 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid [2-(2-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromoanilino)-2-oxoethyl] 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid [2-(2-bromoanilino)-2-keto-ethyl] ester Formula: C14H13BrN3O3+ MolecularWeight: 351.17532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12BrN3O3/c15-10-5-1-2-6-11(10)18-12(19)8-21-14(20)9-4-3-7-17-13(9)16/h1-7H,8H2,(H2,16,17)(H,18,19)/p+1