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

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: (1-butyltetrazol-5-yl)methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C(=CC2=CC=C(C=C2)OC)C#N

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)/C(=C/C2=CC=C(C=C2)OC)/C#N

InChI

InChI=1S/C17H19N5O3/c1-3-4-9-22-16(19-20-21-22)12-25-17(23)14(11-18)10-13-5-7-15(24-2)8-6-13/h5-8,10H,3-4,9,12H2,1-2H3/b14-10+