[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-azanylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C15H15BrN3O3+ MolecularWeight: 365.2019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C([NH+]=CC=C2)N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C([NH+]=CC=C2)N)Br

InChI

InChI=1S/C15H14BrN3O3/c1-9-4-5-12(11(16)7-9)19-13(20)8-22-15(21)10-3-2-6-18-14(10)17/h2-7H,8H2,1H3,(H2,17,18)(H,19,20)/p+1