(E)-3-azanyl-6-isocyano-3-methyl-hex-4-en-2-one

Systemtic Name: (E)-3-azanyl-6-isocyano-3-methyl-hex-4-en-2-one Openeye Name: (E)-3-amino-6-isocyano-3-methyl-hex-4-en-2-one CAS Name: (E)-3-amino-6-isocyano-3-methyl-4-hexen-2-one IUPAC Name: (E)-3-amino-6-isocyano-3-methylhex-4-en-2-one Traditional Name: (E)-3-amino-6-isocyano-3-methyl-hex-4-en-2-one Formula: C8H12N2O MolecularWeight: 152.19368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C(C)(/C=C/C[N+]#[C-])N

InChI

InChI=1S/C8H12N2O/c1-7(11)8(2,9)5-4-6-10-3/h4-5H,6,9H2,1-2H3/b5-4+