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

Systemtic Name: N-[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]-2-morpholino-5-nitro-benzamide CAS Name: N-[2-(4-chlorophenyl)-6-methyl-5-benzotriazolyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]-2-morpholino-5-nitro-benzamide Formula: C24H21ClN6O4 MolecularWeight: 492.91434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C5=CC=C(C=C5)Cl

InChI

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