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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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