[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C14H10ClN3O6 MolecularWeight: 351.6987

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C14H10ClN3O6/c15-11-2-1-10(7-12(11)18(22)23)16-13(19)8-24-14(20)9-3-5-17(21)6-4-9/h1-7H,8H2,(H,16,19)