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

Systemtic Name: [2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[[2-(2-bromoanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-[[2-(2-bromoanilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C16H14BrN3O5 MolecularWeight: 408.20346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CNC(=O)COC(=O)C2=CC=CC=[N+]2[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CNC(=O)COC(=O)C2=CC=CC=[N+]2[O-])Br

InChI

InChI=1S/C16H14BrN3O5/c17-11-5-1-2-6-12(11)19-14(21)9-18-15(22)10-25-16(23)13-7-3-4-8-20(13)24/h1-8H,9-10H2,(H,18,22)(H,19,21)