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

Systemtic Name: N-[2-(3-chloranyl-4-methyl-phenyl)benzotriazol-5-yl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[2-(3-chloro-4-methylphenyl)-5-benzotriazolyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]-4-ethoxy-3-nitro-benzamide Formula: C22H18ClN5O4 MolecularWeight: 451.86242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=NN(N=C3C=C2)C4=CC(=C(C=C4)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=NN(N=C3C=C2)C4=CC(=C(C=C4)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H18ClN5O4/c1-3-32-21-9-5-14(10-20(21)28(30)31)22(29)24-15-6-8-18-19(11-15)26-27(25-18)16-7-4-13(2)17(23)12-16/h4-12H,3H2,1-2H3,(H,24,29)