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

Systemtic Name: N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-nitro-benzamide Openeye Name: N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-nitro-benzamide CAS Name: N-[2-(3,4-dimethylphenyl)-5-benzotriazolyl]-2-nitrobenzamide IUPAC Name: N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-nitrobenzamide Traditional Name: N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-2-nitro-benzamide Formula: C21H17N5O3 MolecularWeight: 387.39138

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O3/c1-13-7-9-16(11-14(13)2)25-23-18-10-8-15(12-19(18)24-25)22-21(27)17-5-3-4-6-20(17)26(28)29/h3-12H,1-2H3,(H,22,27)