N-[3-[[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]methyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-1-oxobutyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butanoylamino]methyl]phenyl]cyclopropanecarboxamide Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C22H22N4O6/c27-20(23-13-14-3-1-4-16(11-14)24-21(28)15-6-7-15)5-2-10-25-18-9-8-17(26(30)31)12-19(18)32-22(25)29/h1,3-4,8-9,11-12,15H,2,5-7,10,13H2,(H,23,27)(H,24,28)