[2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[[2-(2-bromoanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-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-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-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=[N+](C=C2)[O-])Br

Isomeric SMILES

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

InChI

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