(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C20H15N7O2 MolecularWeight: 385.3788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2=CC=C(C=C2)N3C=NN=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2=CC=C(C=C2)N3C=NN=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H15N7O2/c1-14-18(11-21)19(27(23-14)17-5-3-2-4-6-17)12-29-20(28)15-7-9-16(10-8-15)26-13-22-24-25-26/h2-10,13H,12H2,1H3