N-[2-(3-chloranyl-4-methyl-phenyl)benzotriazol-5-yl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[2-(3-chloranyl-4-methyl-phenyl)benzotriazol-5-yl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]-2-morpholino-5-nitro-benzamide CAS Name: N-[2-(3-chloro-4-methylphenyl)-5-benzotriazolyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]-2-morpholino-5-nitro-benzamide Formula: C24H21ClN6O4 MolecularWeight: 492.91434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5)Cl

InChI

InChI=1S/C24H21ClN6O4/c1-15-2-4-17(14-20(15)25)30-27-21-6-3-16(12-22(21)28-30)26-24(32)19-13-18(31(33)34)5-7-23(19)29-8-10-35-11-9-29/h2-7,12-14H,8-11H2,1H3,(H,26,32)