3-methylaniline; (3E)-penta-1,3-dien-1-one

Systemtic Name: 3-methylaniline; (3E)-penta-1,3-dien-1-one Openeye Name: 3-methylaniline; (3E)-penta-1,3-dien-1-one CAS Name: 3-methylaniline; (3E)-1-penta-1,3-dienone IUPAC Name: 3-methylaniline; (3E)-penta-1,3-dien-1-one Traditional Name: m-toluidine; (3E)-penta-1,3-dien-1-one Formula: C12H15NO MolecularWeight: 189.2536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC=C=O.CC1=CC(=CC=C1)N

Isomeric SMILES

C/C=C/C=C=O.CC1=CC(=CC=C1)N

InChI

InChI=1S/C7H9N.C5H6O/c1-6-3-2-4-7(8)5-6;1-2-3-4-5-6/h2-5H,8H2,1H3;2-4H,1H3/b;3-2+