2-chloranyl-N-[2-(4-dimethylaminophenyl)benzotriazol-5-yl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-(4-dimethylaminophenyl)benzotriazol-5-yl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[2-(4-dimethylaminophenyl)benzotriazol-5-yl]-5-nitro-benzamide CAS Name: 2-chloro-N-[2-(4-dimethylaminophenyl)-5-benzotriazolyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[2-(4-dimethylaminophenyl)benzotriazol-5-yl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[2-(4-dimethylaminophenyl)benzotriazol-5-yl]-5-nitro-benzamide Formula: C21H17ClN6O3 MolecularWeight: 436.85108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN6O3/c1-26(2)14-4-6-15(7-5-14)27-24-19-10-3-13(11-20(19)25-27)23-21(29)17-12-16(28(30)31)8-9-18(17)22/h3-12H,1-2H3,(H,23,29)