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

Systemtic Name: [2-[[2,4-bis(bromanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: [2-(2,4-dibromoanilino)-2-oxo-ethyl] 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid [2-(2,4-dibromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dibromoanilino)-2-oxoethyl] 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid [2-(2,4-dibromoanilino)-2-keto-ethyl] ester Formula: C14H12Br2N3O3+ MolecularWeight: 430.07138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11Br2N3O3/c15-8-3-4-11(10(16)6-8)19-12(20)7-22-14(21)9-2-1-5-18-13(9)17/h1-6H,7H2,(H2,17,18)(H,19,20)/p+1