N-[5-(butanoylamino)-2-chloranyl-phenyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[5-(butanoylamino)-2-chloranyl-phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[5-(butanoylamino)-2-chloro-phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[2-chloro-5-(1-oxobutylamino)phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[5-(butanoylamino)-2-chlorophenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(5-butyramido-2-chloro-phenyl)-2-morpholino-5-nitro-benzamide Formula: C21H23ClN4O5 MolecularWeight: 446.88412

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C21H23ClN4O5/c1-2-3-20(27)23-14-4-6-17(22)18(12-14)24-21(28)16-13-15(26(29)30)5-7-19(16)25-8-10-31-11-9-25/h4-7,12-13H,2-3,8-11H2,1H3,(H,23,27)(H,24,28)