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

Systemtic Name: N-[3-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]phenyl]furan-2-carboxamide Openeye Name: N-[3-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]phenyl]furan-2-carboxamide CAS Name: N-[3-[[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-1-oxobutyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]phenyl]furan-2-carboxamide Traditional Name: N-[3-[4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butanoylamino]phenyl]-2-furamide Formula: C22H18N4O7 MolecularWeight: 450.40092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)NC(=O)C4=CC=CO4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)NC(=O)C4=CC=CO4

InChI

InChI=1S/C22H18N4O7/c27-20(23-14-4-1-5-15(12-14)24-21(28)18-6-3-11-32-18)7-2-10-25-17-9-8-16(26(30)31)13-19(17)33-22(25)29/h1,3-6,8-9,11-13H,2,7,10H2,(H,23,27)(H,24,28)