N-[2-(3-chloranyl-4-methyl-phenyl)benzotriazol-5-yl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[2-(3-chloranyl-4-methyl-phenyl)benzotriazol-5-yl]-2-methyl-3-nitro-benzamide Openeye Name: N-[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]-2-methyl-3-nitro-benzamide CAS Name: N-[2-(3-chloro-4-methylphenyl)-5-benzotriazolyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-methyl-3-nitrobenzamide Traditional Name: N-[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]-2-methyl-3-nitro-benzamide Formula: C21H16ClN5O3 MolecularWeight: 421.83644

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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(=CC=C4)[N+](=O)[O-])C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN5O3/c1-12-6-8-15(11-17(12)22)26-24-18-9-7-14(10-19(18)25-26)23-21(28)16-4-3-5-20(13(16)2)27(29)30/h3-11H,1-2H3,(H,23,28)