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

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: (1-butyltetrazol-5-yl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O2/c1-4-5-10-24-17(20-21-22-24)13-26-18(25)15(12-19)11-14-6-8-16(9-7-14)23(2)3/h6-9,11H,4-5,10,13H2,1-3H3/b15-11+