N-(2-methyl-6-propan-2-yl-phenyl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(2-isopropyl-6-methyl-phenyl)-4-morpholino-3-nitro-benzamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(2-isopropyl-6-methyl-phenyl)-4-morpholino-3-nitro-benzamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-14(2)17-6-4-5-15(3)20(17)22-21(25)16-7-8-18(19(13-16)24(26)27)23-9-11-28-12-10-23/h4-8,13-14H,9-12H2,1-3H3,(H,22,25)