N-[3-(butanoylamino)phenyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[3-(butanoylamino)phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[3-(butanoylamino)phenyl]-2-morpholino-5-nitro-benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[3-(1-oxobutylamino)phenyl]benzamide IUPAC Name: N-[3-(butanoylamino)phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(3-butyramidophenyl)-2-morpholino-5-nitro-benzamide Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5/c1-2-4-20(26)22-15-5-3-6-16(13-15)23-21(27)18-14-17(25(28)29)7-8-19(18)24-9-11-30-12-10-24/h3,5-8,13-14H,2,4,9-12H2,1H3,(H,22,26)(H,23,27)