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

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

Isomeric SMILES

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

InChI

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