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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H16ClN5O3/c1-2-13-3-6-15(7-4-13)26-24-19-10-5-14(11-20(19)25-26)23-21(28)17-9-8-16(27(29)30)12-18(17)22/h3-12H,2H2,1H3,(H,23,28)