4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)butanamide

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)butanamide Openeye Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)butanamide CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenyl-5-pyrimidinyl)butanamide IUPAC Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-(2-phenylpyrimidin-5-yl)butyramide Formula: C21H17N5O5 MolecularWeight: 419.39018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=C(C=N2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=C(C=N2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H17N5O5/c27-19(24-15-12-22-20(23-13-15)14-5-2-1-3-6-14)7-4-10-25-17-9-8-16(26(29)30)11-18(17)31-21(25)28/h1-3,5-6,8-9,11-13H,4,7,10H2,(H,24,27)