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

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[4-[(1S)-1-methylpropyl]phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-[(1S)-1-methylpropyl]phenyl]-4-morpholino-3-nitro-benzamide Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4/c1-3-15(2)16-4-7-18(8-5-16)22-21(25)17-6-9-19(20(14-17)24(26)27)23-10-12-28-13-11-23/h4-9,14-15H,3,10-13H2,1-2H3,(H,22,25)/t15-/m0/s1