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

Systemtic Name: N-[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]-2-morpholino-5-nitro-benzamide CAS Name: N-[2-(4-ethylphenyl)-6-methyl-5-benzotriazolyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]-2-morpholino-5-nitro-benzamide Formula: C26H26N6O4 MolecularWeight: 486.52244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5)C

InChI

InChI=1S/C26H26N6O4/c1-3-18-4-6-19(7-5-18)31-28-23-14-17(2)22(16-24(23)29-31)27-26(33)21-15-20(32(34)35)8-9-25(21)30-10-12-36-13-11-30/h4-9,14-16H,3,10-13H2,1-2H3,(H,27,33)