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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: (1-propyltetrazol-5-yl)methyl (E)-2-cyano-3-(4-isopropylphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-propan-2-ylphenyl)-2-propenoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-cumenyl-acrylic acid (1-propyltetrazol-5-yl)methyl ester Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O2/c1-4-9-23-17(20-21-22-23)12-25-18(24)16(11-19)10-14-5-7-15(8-6-14)13(2)3/h5-8,10,13H,4,9,12H2,1-3H3/b16-10+