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

Systemtic Name: 4-chloranyl-N-[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-(4-ethylphenyl)-6-methyl-5-benzotriazolyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-benzamide Formula: C22H18ClN5O3 MolecularWeight: 435.86302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=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/C22H18ClN5O3/c1-3-14-4-7-16(8-5-14)27-25-19-10-13(2)18(12-20(19)26-27)24-22(29)15-6-9-17(23)21(11-15)28(30)31/h4-12H,3H2,1-2H3,(H,24,29)