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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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