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

Systemtic Name: 4-chloranyl-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-(3,4-dimethylphenyl)-5-benzotriazolyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-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=CC(=C(C=C4)Cl)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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