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

Systemtic Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-2-morpholino-5-nitro-benzamide CAS Name: N-[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-2-morpholino-5-nitro-benzamide Formula: C28H30N6O4 MolecularWeight: 514.5756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5)C

Isomeric SMILES

CCCCC1=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/C28H30N6O4/c1-3-4-5-20-6-8-21(9-7-20)33-30-25-16-19(2)24(18-26(25)31-33)29-28(35)23-17-22(34(36)37)10-11-27(23)32-12-14-38-15-13-32/h6-11,16-18H,3-5,12-15H2,1-2H3,(H,29,35)