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

Systemtic Name: N-[3-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-1-oxobutyl]amino]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butanoylamino]phenyl]cyclopropanecarboxamide Formula: C21H20N4O6 MolecularWeight: 424.4067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O6/c26-19(22-14-3-1-4-15(11-14)23-20(27)13-6-7-13)5-2-10-24-17-9-8-16(25(29)30)12-18(17)31-21(24)28/h1,3-4,8-9,11-13H,2,5-7,10H2,(H,22,26)(H,23,27)