(E)-4-[(3,4-dimethylphenyl)amino]-3-isocyano-4-oxidanyl-but-3-en-2-one

Systemtic Name: (E)-4-[(3,4-dimethylphenyl)amino]-3-isocyano-4-oxidanyl-but-3-en-2-one Openeye Name: (E)-4-(3,4-dimethylanilino)-4-hydroxy-3-isocyano-but-3-en-2-one CAS Name: (E)-4-(3,4-dimethylanilino)-4-hydroxy-3-isocyano-3-buten-2-one IUPAC Name: (E)-4-(3,4-dimethylanilino)-4-hydroxy-3-isocyanobut-3-en-2-one Traditional Name: (E)-4-(3,4-dimethylanilino)-4-hydroxy-3-isocyano-but-3-en-2-one Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=C(C(=O)C)[N+]#[C-])O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N/C(=C(/C(=O)C)\[N+]#[C-])/O)C

InChI

InChI=1S/C13H14N2O2/c1-8-5-6-11(7-9(8)2)15-13(17)12(14-4)10(3)16/h5-7,15,17H,1-3H3/b13-12+