(1-propyl-1,2,3,4-tetrazol-5-yl)methyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: (1-propyltetrazol-5-yl)methyl (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid (1-propyltetrazol-5-yl)methyl ester Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C(=CC2=CC=C(C=C2)C)C#N

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)/C(=C/C2=CC=C(C=C2)C)/C#N

InChI

InChI=1S/C16H17N5O2/c1-3-8-21-15(18-19-20-21)11-23-16(22)14(10-17)9-13-6-4-12(2)5-7-13/h4-7,9H,3,8,11H2,1-2H3/b14-9+