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

Systemtic Name: N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3-nitro-benzamide Openeye Name: N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3-nitro-benzamide CAS Name: N-[2-(3,4-dimethylphenyl)-5-benzotriazolyl]-3-nitrobenzamide IUPAC Name: N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3-nitrobenzamide Traditional Name: N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3-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/c1-13-6-8-17(10-14(13)2)25-23-19-9-7-16(12-20(19)24-25)22-21(27)15-4-3-5-18(11-15)26(28)29/h3-12H,1-2H3,(H,22,27)