(E)-4-(2-methyl-3-phenyl-azirin-2-yl)but-3-en-2-one

Systemtic Name: (E)-4-(2-methyl-3-phenyl-azirin-2-yl)but-3-en-2-one Openeye Name: (E)-4-(2-methyl-3-phenyl-azirin-2-yl)but-3-en-2-one CAS Name: (E)-4-(2-methyl-3-phenyl-2-azirinyl)-3-buten-2-one IUPAC Name: (E)-4-(2-methyl-3-phenylazirin-2-yl)but-3-en-2-one Traditional Name: (E)-4-(2-methyl-3-phenyl-azirin-2-yl)but-3-en-2-one Formula: C13H13NO MolecularWeight: 199.24842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1(C(=N1)C2=CC=CC=C2)C

Isomeric SMILES

CC(=O)/C=C/C1(C(=N1)C2=CC=CC=C2)C

InChI

InChI=1S/C13H13NO/c1-10(15)8-9-13(2)12(14-13)11-6-4-3-5-7-11/h3-9H,1-2H3/b9-8+