(2E,4E)-5-[(2-chloranylethanoylamino)methylazaniumyl]-2-cyano-3-methyl-hexa-2,4-dienoate

Systemtic Name: (2E,4E)-5-[(2-chloranylethanoylamino)methylazaniumyl]-2-cyano-3-methyl-hexa-2,4-dienoate Openeye Name: (2E,4E)-5-[[(2-chloroacetyl)amino]methylammonio]-2-cyano-3-methyl-hexa-2,4-dienoate CAS Name: (2E,4E)-5-[[(2-chloro-1-oxoethyl)amino]methylammonio]-2-cyano-3-methylhexa-2,4-dienoate IUPAC Name: (2E,4E)-5-[[(2-chloroacetyl)amino]methylazaniumyl]-2-cyano-3-methylhexa-2,4-dienoate Traditional Name: (2E,4E)-5-[[(2-chloroacetyl)amino]methylammonio]-2-cyano-3-methyl-hexa-2,4-dienoate Formula: C11H14ClN3O3 MolecularWeight: 271.70016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=C(C#N)C(=O)[O-])C)[NH2+]CNC(=O)CCl

Isomeric SMILES

C/C(=C\C(=C(/C#N)\C(=O)[O-])\C)/[NH2+]CNC(=O)CCl

InChI

InChI=1S/C11H14ClN3O3/c1-7(9(5-13)11(17)18)3-8(2)14-6-15-10(16)4-12/h3,14H,4,6H2,1-2H3,(H,15,16)(H,17,18)/b8-3+,9-7+