N-(3-chloranyl-2,6-diethyl-phenyl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-4-morpholino-3-nitro-benzamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(3-chloro-2,6-diethyl-phenyl)-4-morpholino-3-nitro-benzamide Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN3O4/c1-3-14-5-7-17(22)16(4-2)20(14)23-21(26)15-6-8-18(19(13-15)25(27)28)24-9-11-29-12-10-24/h5-8,13H,3-4,9-12H2,1-2H3,(H,23,26)