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

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(4-fluoro-3-nitrophenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C17H13FN4O7 MolecularWeight: 404.306123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)[N+](=O)[O-])F

InChI

InChI=1S/C17H13FN4O7/c18-12-5-3-10(8-14(12)22(27)28)19-16(23)2-1-7-20-13-6-4-11(21(25)26)9-15(13)29-17(20)24/h3-6,8-9H,1-2,7H2,(H,19,23)