[(E)-5-(3-cyanophenyl)pent-4-en-2-yl] hydrogen carbonate

Systemtic Name: [(E)-5-(3-cyanophenyl)pent-4-en-2-yl] hydrogen carbonate Openeye Name: [(E)-4-(3-cyanophenyl)-1-methyl-but-3-enyl] hydrogen carbonate CAS Name: carbonic acid [(E)-5-(3-cyanophenyl)pent-4-en-2-yl] ester IUPAC Name: [(E)-5-(3-cyanophenyl)pent-4-en-2-yl] hydrogen carbonate Traditional Name: carbonic acid [(E)-4-(3-cyanophenyl)-1-methyl-but-3-enyl] ester Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=CC1=CC=CC(=C1)C#N)OC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO3/c1-10(17-13(15)16)4-2-5-11-6-3-7-12(8-11)9-14/h2-3,5-8,10H,4H2,1H3,(H,15,16)/b5-2+