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

Systemtic Name: N-(3-iodanylphenyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(3-iodophenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(3-iodophenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(3-iodophenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(3-iodophenyl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C17H14IN3O5 MolecularWeight: 467.21463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14IN3O5/c18-11-3-1-4-12(9-11)19-16(22)5-2-8-20-14-7-6-13(21(24)25)10-15(14)26-17(20)23/h1,3-4,6-7,9-10H,2,5,8H2,(H,19,22)