(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 3-nitrobenzoate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 3-nitrobenzoate Openeye Name: (1-phenyltetrazol-5-yl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C15H11N5O4 MolecularWeight: 325.27894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N5O4/c21-15(11-5-4-8-13(9-11)20(22)23)24-10-14-16-17-18-19(14)12-6-2-1-3-7-12/h1-9H,10H2