(2-methyl-1-oxidanylidene-1-prop-2-enoxy-propan-2-yl) 2-chloranyl-5-nitro-benzoate

Systemtic Name: (2-methyl-1-oxidanylidene-1-prop-2-enoxy-propan-2-yl) 2-chloranyl-5-nitro-benzoate Openeye Name: (2-allyloxy-1,1-dimethyl-2-oxo-ethyl) 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid (2-methyl-1-oxo-1-prop-2-enoxypropan-2-yl) ester IUPAC Name: (2-methyl-1-oxo-1-prop-2-enoxypropan-2-yl) 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (2-allyloxy-2-keto-1,1-dimethyl-ethyl) ester Formula: C14H14ClNO6 MolecularWeight: 327.71706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClNO6/c1-4-7-21-13(18)14(2,3)22-12(17)10-8-9(16(19)20)5-6-11(10)15/h4-6,8H,1,7H2,2-3H3