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

Systemtic Name: 3-oxidanylidenebutan-2-yl 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate Openeye Name: (1-methyl-2-oxo-propyl) 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoic acid (2-keto-1-methyl-propyl) ester Formula: C18H16ClNO7 MolecularWeight: 393.77514

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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-])OC

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO7/c1-10(21)11(2)26-18(22)12-4-6-16(17(8-12)25-3)27-15-7-5-13(19)9-14(15)20(23)24/h4-9,11H,1-3H3