3-cyanopropyl 2-[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]ethanoate

Systemtic Name: 3-cyanopropyl 2-[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]ethanoate Openeye Name: 3-cyanopropyl 2-[5-(p-tolyl)tetrazol-2-yl]acetate CAS Name: 2-[5-(4-methylphenyl)-2-tetrazolyl]acetic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate Traditional Name: 2-[5-(p-tolyl)tetrazol-2-yl]acetic acid 3-cyanopropyl ester Formula: C14H15N5O2 MolecularWeight: 285.3012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)OCCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)OCCCC#N

InChI

InChI=1S/C14H15N5O2/c1-11-4-6-12(7-5-11)14-16-18-19(17-14)10-13(20)21-9-3-2-8-15/h4-7H,2-3,9-10H2,1H3