3-oxidanylidenebutan-2-yl 4-(4-chloranyl-2-nitro-phenoxy)benzoate

Systemtic Name: 3-oxidanylidenebutan-2-yl 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: (1-methyl-2-oxo-propyl) 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid (2-keto-1-methyl-propyl) ester Formula: C17H14ClNO6 MolecularWeight: 363.74916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClNO6/c1-10(20)11(2)24-17(21)12-3-6-14(7-4-12)25-16-8-5-13(18)9-15(16)19(22)23/h3-9,11H,1-2H3