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

Systemtic Name: N-[2-(4-dimethylaminophenyl)benzotriazol-5-yl]-2-nitro-benzamide Openeye Name: N-[2-(4-dimethylaminophenyl)benzotriazol-5-yl]-2-nitro-benzamide CAS Name: N-[2-(4-dimethylaminophenyl)-5-benzotriazolyl]-2-nitrobenzamide IUPAC Name: N-[2-(4-dimethylaminophenyl)benzotriazol-5-yl]-2-nitrobenzamide Traditional Name: N-[2-(4-dimethylaminophenyl)benzotriazol-5-yl]-2-nitro-benzamide Formula: C21H18N6O3 MolecularWeight: 402.40602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N6O3/c1-25(2)15-8-10-16(11-9-15)26-23-18-12-7-14(13-19(18)24-26)22-21(28)17-5-3-4-6-20(17)27(29)30/h3-13H,1-2H3,(H,22,28)