N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3,5-dinitro-benzamide Openeye Name: N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3,5-dinitro-benzamide CAS Name: N-[2-(3,4-dimethylphenyl)-5-benzotriazolyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3,5-dinitrobenzamide Traditional Name: N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3,5-dinitro-benzamide Formula: C21H16N6O5 MolecularWeight: 432.38894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C21H16N6O5/c1-12-3-5-16(7-13(12)2)25-23-19-6-4-15(10-20(19)24-25)22-21(28)14-8-17(26(29)30)11-18(9-14)27(31)32/h3-11H,1-2H3,(H,22,28)