(E)-1-(4-chlorophenyl)-2-isocyano-3-(methylamino)but-2-en-1-one

Systemtic Name: (E)-1-(4-chlorophenyl)-2-isocyano-3-(methylamino)but-2-en-1-one Openeye Name: (E)-1-(4-chlorophenyl)-2-isocyano-3-(methylamino)but-2-en-1-one CAS Name: (E)-1-(4-chlorophenyl)-2-isocyano-3-(methylamino)-2-buten-1-one IUPAC Name: (E)-1-(4-chlorophenyl)-2-isocyano-3-(methylamino)but-2-en-1-one Traditional Name: (E)-1-(4-chlorophenyl)-2-isocyano-3-(methylamino)but-2-en-1-one Formula: C12H11ClN2O MolecularWeight: 234.68154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C(/C(=O)C1=CC=C(C=C1)Cl)\[N+]#[C-])/NC

InChI

InChI=1S/C12H11ClN2O/c1-8(14-2)11(15-3)12(16)9-4-6-10(13)7-5-9/h4-7,14H,1-2H3/b11-8+