N-[3-(3-nitro-4-oxidanyl-phenyl)-1-oxidanylidene-1-(4-phenylbutylamino)propan-2-yl]benzamide

Systemtic Name: N-[3-(3-nitro-4-oxidanyl-phenyl)-1-oxidanylidene-1-(4-phenylbutylamino)propan-2-yl]benzamide Openeye Name: N-[1-[(4-hydroxy-3-nitro-phenyl)methyl]-2-oxo-2-(4-phenylbutylamino)ethyl]benzamide CAS Name: N-[3-(4-hydroxy-3-nitrophenyl)-1-oxo-1-(4-phenylbutylamino)propan-2-yl]benzamide IUPAC Name: N-[3-(4-hydroxy-3-nitrophenyl)-1-oxo-1-(4-phenylbutylamino)propan-2-yl]benzamide Traditional Name: N-[1-(4-hydroxy-3-nitro-benzyl)-2-keto-2-(4-phenylbutylamino)ethyl]benzamide Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)C(CC2=CC(=C(C=C2)O)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)C(CC2=CC(=C(C=C2)O)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H27N3O5/c30-24-15-14-20(18-23(24)29(33)34)17-22(28-25(31)21-12-5-2-6-13-21)26(32)27-16-8-7-11-19-9-3-1-4-10-19/h1-6,9-10,12-15,18,22,30H,7-8,11,16-17H2,(H,27,32)(H,28,31)