[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-3-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-3-carboxylate CAS Name: 1-oxido-3-pyridin-1-iumcarboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 1-oxidopyridin-1-ium-3-carboxylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C15H11N3O4 MolecularWeight: 297.26554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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