phenylazanyl 4-cyano-2-(iminomethyl)butanoate hydrochloride

Systemtic Name: phenylazanyl 4-cyano-2-(iminomethyl)butanoate hydrochloride Openeye Name: anilino 4-cyano-2-methanimidoyl-butanoate hydrochloride CAS Name: 4-cyano-2-methanimidoylbutanoic acid anilino ester hydrochloride IUPAC Name: anilino 4-cyano-2-methanimidoylbutanoate hydrochloride Traditional Name: 4-cyano-2-formimidoyl-butyric acid anilino ester hydrochloride Formula: C12H14ClN3O2 MolecularWeight: 267.71146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NOC(=O)C(CCC#N)C=N.Cl

Isomeric SMILES

C1=CC=C(C=C1)NOC(=O)C(CCC#N)C=N.Cl

InChI

InChI=1S/C12H13N3O2.ClH/c13-8-4-5-10(9-14)12(16)17-15-11-6-2-1-3-7-11;/h1-3,6-7,9-10,14-15H,4-5H2;1H