[2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-3-carboxylate Openeye Name: [2-(2,6-dibromo-4-nitro-anilino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-3-carboxylate CAS Name: 1-oxido-3-pyridin-1-iumcarboxylic acid [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 1-oxidopyridin-1-ium-3-carboxylic acid [2-(2,6-dibromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C14H9Br2N3O6 MolecularWeight: 475.04576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)[O-])C(=O)OCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=C[N+](=C1)[O-])C(=O)OCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br

InChI

InChI=1S/C14H9Br2N3O6/c15-10-4-9(19(23)24)5-11(16)13(10)17-12(20)7-25-14(21)8-2-1-3-18(22)6-8/h1-6H,7H2,(H,17,20)