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

Systemtic Name: N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-(isobutyrylamino)-3-methoxy-phenyl]-4-morpholino-3-nitro-benzamide Formula: C22H26N4O6 MolecularWeight: 442.46504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O6/c1-14(2)21(27)24-17-6-5-16(13-20(17)31-3)23-22(28)15-4-7-18(19(12-15)26(29)30)25-8-10-32-11-9-25/h4-7,12-14H,8-11H2,1-3H3,(H,23,28)(H,24,27)