2-bromanyl-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-5-nitro-benzamide

Systemtic Name: 2-bromanyl-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-5-nitro-benzamide Openeye Name: 2-bromo-N-[6-methyl-2-(p-tolyl)benzotriazol-5-yl]-5-nitro-benzamide CAS Name: 2-bromo-N-[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]-5-nitrobenzamide IUPAC Name: 2-bromo-N-[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]-5-nitrobenzamide Traditional Name: 2-bromo-N-[6-methyl-2-(p-tolyl)benzotriazol-5-yl]-5-nitro-benzamide Formula: C21H16BrN5O3 MolecularWeight: 466.28744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN5O3/c1-12-3-5-14(6-4-12)26-24-19-9-13(2)18(11-20(19)25-26)23-21(28)16-10-15(27(29)30)7-8-17(16)22/h3-11H,1-2H3,(H,23,28)