(2-naphthalen-2-yl-2-oxidanylidene-ethyl) 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: (2-naphthalen-2-yl-2-oxidanylidene-ethyl) 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-(2-naphthyl)-2-oxo-ethyl] 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [2-(2-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-2-yl-2-oxoethyl) 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid [2-keto-2-(2-naphthyl)ethyl] ester Formula: C20H14N4O3 MolecularWeight: 358.35016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)COC(=O)C3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)COC(=O)C3=CC=C(C=C3)N4C=NN=N4

InChI

InChI=1S/C20H14N4O3/c25-19(17-6-5-14-3-1-2-4-16(14)11-17)12-27-20(26)15-7-9-18(10-8-15)24-13-21-22-23-24/h1-11,13H,12H2