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

Systemtic Name: (1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl) 2-chloranyl-5-nitro-benzoate Openeye Name: (2-ethoxy-1,1-dimethyl-2-oxo-ethyl) 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid (1-ethoxy-2-methyl-1-oxopropan-2-yl) ester IUPAC Name: (1-ethoxy-2-methyl-1-oxopropan-2-yl) 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (2-ethoxy-2-keto-1,1-dimethyl-ethyl) ester Formula: C13H14ClNO6 MolecularWeight: 315.70636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO6/c1-4-20-12(17)13(2,3)21-11(16)9-7-8(15(18)19)5-6-10(9)14/h5-7H,4H2,1-3H3