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

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C15H11N3O4 MolecularWeight: 297.26554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C#N)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C#N)[O-]

InChI

InChI=1S/C15H11N3O4/c16-9-11-4-6-12(7-5-11)17-14(19)10-22-15(20)13-3-1-2-8-18(13)21/h1-8H,10H2,(H,17,19)