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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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