2-bromanyl-N-[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]-5-nitro-benzamide

Systemtic Name: 2-bromanyl-N-[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]-5-nitro-benzamide Openeye Name: 2-bromo-N-[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]-5-nitro-benzamide CAS Name: 2-bromo-N-[2-(4-methoxyphenyl)-6-methyl-5-benzotriazolyl]-5-nitrobenzamide IUPAC Name: 2-bromo-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-5-nitrobenzamide Traditional Name: 2-bromo-N-[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]-5-nitro-benzamide Formula: C21H16BrN5O4 MolecularWeight: 482.28684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Br)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Br)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H16BrN5O4/c1-12-9-19-20(25-26(24-19)13-3-6-15(31-2)7-4-13)11-18(12)23-21(28)16-10-14(27(29)30)5-8-17(16)22/h3-11H,1-2H3,(H,23,28)