[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C15H13N3O7 MolecularWeight: 347.27962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C15H13N3O7/c1-24-13-3-2-11(18(22)23)8-12(13)16-14(19)9-25-15(20)10-4-6-17(21)7-5-10/h2-8H,9H2,1H3,(H,16,19)