[2-(benzotriazol-2-yl)-4-methyl-phenyl] 3,5-dinitrobenzoate

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 3,5-dinitrobenzoate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C20H13N5O6 MolecularWeight: 419.34712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])N3N=C4C=CC=CC4=N3

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C20H13N5O6/c1-12-6-7-19(18(8-12)23-21-16-4-2-3-5-17(16)22-23)31-20(26)13-9-14(24(27)28)11-15(10-13)25(29)30/h2-11H,1H3