methyl (E)-3-[1-(3-oxidanylidenebutyl)imidazol-4-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[1-(3-oxidanylidenebutyl)imidazol-4-yl]prop-2-enoate Openeye Name: methyl (E)-3-[1-(3-oxobutyl)imidazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-(3-oxobutyl)-4-imidazolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[1-(3-oxobutyl)imidazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-(3-ketobutyl)imidazol-4-yl]acrylic acid methyl ester Formula: C11H14N2O3 MolecularWeight: 222.24046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C=C(N=C1)C=CC(=O)OC

Isomeric SMILES

CC(=O)CCN1C=C(N=C1)/C=C/C(=O)OC

InChI

InChI=1S/C11H14N2O3/c1-9(14)5-6-13-7-10(12-8-13)3-4-11(15)16-2/h3-4,7-8H,5-6H2,1-2H3/b4-3+