ethyl 1-[(Z)-1-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-en-2-yl]pyridin-1-ium-3-carboxylate chloride

Systemtic Name: ethyl 1-[(Z)-1-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-en-2-yl]pyridin-1-ium-3-carboxylate chloride Openeye Name: ethyl 1-[(Z)-2-cyano-1-(phenylcarbamoyl)vinyl]pyridin-1-ium-3-carboxylate chloride CAS Name: 1-[(Z)-3-anilino-1-cyano-3-oxoprop-1-en-2-yl]-3-pyridin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 1-[(Z)-3-anilino-1-cyano-3-oxoprop-1-en-2-yl]pyridin-1-ium-3-carboxylate chloride Traditional Name: 1-[(Z)-2-cyano-1-(phenylcarbamoyl)vinyl]pyridin-1-ium-3-carboxylic acid ethyl ester chloride Formula: C18H16ClN3O3 MolecularWeight: 357.79094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+](=CC=C1)C(=CC#N)C(=O)NC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C[N+](=CC=C1)/C(=C\C#N)/C(=O)NC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C18H15N3O3.ClH/c1-2-24-18(23)14-7-6-12-21(13-14)16(10-11-19)17(22)20-15-8-4-3-5-9-15;/h3-10,12-13H,2H2,1H3;1H/b16-10-;