2-chloranyl-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]-4-nitro-benzamide CAS Name: 2-chloro-N-[6-methyl-2-(4-propan-2-ylphenyl)-5-benzotriazolyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-(6-methyl-2-p-cumenyl-benzotriazol-5-yl)-4-nitro-benzamide Formula: C23H20ClN5O3 MolecularWeight: 449.8896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C23H20ClN5O3/c1-13(2)15-4-6-16(7-5-15)28-26-21-10-14(3)20(12-22(21)27-28)25-23(30)18-9-8-17(29(31)32)11-19(18)24/h4-13H,1-3H3,(H,25,30)