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

Systemtic Name: N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]-2-morpholino-5-nitro-benzamide CAS Name: N-[6-methyl-2-(4-propan-2-ylphenyl)-5-benzotriazolyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(6-methyl-2-p-cumenyl-benzotriazol-5-yl)-2-morpholino-5-nitro-benzamide Formula: C27H28N6O4 MolecularWeight: 500.54902

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H28N6O4/c1-17(2)19-4-6-20(7-5-19)32-29-24-14-18(3)23(16-25(24)30-32)28-27(34)22-15-21(33(35)36)8-9-26(22)31-10-12-37-13-11-31/h4-9,14-17H,10-13H2,1-3H3,(H,28,34)