4-chloranyl-N-[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-(4-ethoxyphenyl)-6-methyl-5-benzotriazolyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-(6-methyl-2-p-phenetyl-benzotriazol-5-yl)-3-nitro-benzamide Formula: C22H18ClN5O4 MolecularWeight: 451.86242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C

InChI

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