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

Systemtic Name: N-[3-(2-methylpropanoylamino)phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[3-(2-methylpropanoylamino)phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[3-[(2-methyl-1-oxopropyl)amino]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[3-(2-methylpropanoylamino)phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[3-(isobutyrylamino)phenyl]-4-morpholino-3-nitro-benzamide Formula: C21H24N4O5 MolecularWeight: 412.43906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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