methyl (2E)-2-cyano-2-[1-(3-phenylpropyl)-2H-1,2,3,4-tetrazol-5-ylidene]ethanoate

Systemtic Name: methyl (2E)-2-cyano-2-[1-(3-phenylpropyl)-2H-1,2,3,4-tetrazol-5-ylidene]ethanoate Openeye Name: methyl (2E)-2-cyano-2-[1-(3-phenylpropyl)-2H-tetrazol-5-ylidene]acetate CAS Name: (2E)-2-cyano-2-[1-(3-phenylpropyl)-2H-tetrazol-5-ylidene]acetic acid methyl ester IUPAC Name: methyl (2E)-2-cyano-2-[1-(3-phenylpropyl)-2H-tetrazol-5-ylidene]acetate Traditional Name: (2E)-2-cyano-2-[1-(3-phenylpropyl)-2H-tetrazol-5-ylidene]acetic acid methyl ester Formula: C14H15N5O2 MolecularWeight: 285.3012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1N=NNN1CCCC2=CC=CC=C2)C#N

Isomeric SMILES

COC(=O)/C(=C\1/N=NNN1CCCC2=CC=CC=C2)/C#N

InChI

InChI=1S/C14H15N5O2/c1-21-14(20)12(10-15)13-16-17-18-19(13)9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3,(H,16,18)/b13-12-