phenanthridin-6-ylmethyl 3-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: phenanthridin-6-ylmethyl 3-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: phenanthridin-6-ylmethyl 3-(tetrazol-1-yl)benzoate CAS Name: 3-(1-tetrazolyl)benzoic acid 6-phenanthridinylmethyl ester IUPAC Name: phenanthridin-6-ylmethyl 3-(tetrazol-1-yl)benzoate Traditional Name: 3-(tetrazol-1-yl)benzoic acid phenanthridin-6-ylmethyl ester Formula: C22H15N5O2 MolecularWeight: 381.3868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2COC(=O)C4=CC(=CC=C4)N5C=NN=N5

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2COC(=O)C4=CC(=CC=C4)N5C=NN=N5

InChI

InChI=1S/C22H15N5O2/c28-22(15-6-5-7-16(12-15)27-14-23-25-26-27)29-13-21-19-10-2-1-8-17(19)18-9-3-4-11-20(18)24-21/h1-12,14H,13H2