4-chloranyl-2-cyano-3-oxidanylidene-1-[(phenylmethyl)amino]but-1-en-1-olate

Systemtic Name: 4-chloranyl-2-cyano-3-oxidanylidene-1-[(phenylmethyl)amino]but-1-en-1-olate Openeye Name: 1-(benzylamino)-4-chloro-2-cyano-3-oxo-but-1-en-1-olate CAS Name: 4-chloro-2-cyano-3-oxo-1-[(phenylmethyl)amino]-1-buten-1-olate IUPAC Name: 1-(benzylamino)-4-chloro-2-cyano-3-oxobut-1-en-1-olate Traditional Name: 1-(benzylamino)-4-chloro-2-cyano-3-keto-but-1-en-1-olate Formula: C12H10ClN2O2- MolecularWeight: 249.673

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=C(C#N)C(=O)CCl)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=C(C#N)C(=O)CCl)[O-]

InChI

InChI=1S/C12H11ClN2O2/c13-6-11(16)10(7-14)12(17)15-8-9-4-2-1-3-5-9/h1-5,15,17H,6,8H2/p-1