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

Systemtic Name: N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-morpholino-5-nitro-benzamide CAS Name: N-[2-(4-ethoxyphenyl)-5-benzotriazolyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: 2-morpholino-5-nitro-N-(2-p-phenetylbenzotriazol-5-yl)benzamide Formula: C25H24N6O5 MolecularWeight: 488.49526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

InChI

InChI=1S/C25H24N6O5/c1-2-36-20-7-4-18(5-8-20)30-27-22-9-3-17(15-23(22)28-30)26-25(32)21-16-19(31(33)34)6-10-24(21)29-11-13-35-14-12-29/h3-10,15-16H,2,11-14H2,1H3,(H,26,32)