[4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-methyl-3-pyrrol-1-yl-benzoate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-methyl-3-pyrrol-1-yl-benzoate Openeye Name: [4-(tetrazol-1-yl)phenyl] 4-methyl-3-pyrrol-1-yl-benzoate CAS Name: 4-methyl-3-(1-pyrrolyl)benzoic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 4-methyl-3-pyrrol-1-ylbenzoate Traditional Name: 4-methyl-3-pyrrol-1-yl-benzoic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C19H15N5O2 MolecularWeight: 345.3547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)N3C=NN=N3)N4C=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)N3C=NN=N3)N4C=CC=C4

InChI

InChI=1S/C19H15N5O2/c1-14-4-5-15(12-18(14)23-10-2-3-11-23)19(25)26-17-8-6-16(7-9-17)24-13-20-21-22-24/h2-13H,1H3