(1-ethoxy-1-oxidanylidene-propan-2-yl) 5-(2-chloranyl-4-methyl-phenoxy)-2-nitro-benzoate

Systemtic Name: (1-ethoxy-1-oxidanylidene-propan-2-yl) 5-(2-chloranyl-4-methyl-phenoxy)-2-nitro-benzoate Openeye Name: (2-ethoxy-1-methyl-2-oxo-ethyl) 5-(2-chloro-4-methyl-phenoxy)-2-nitro-benzoate CAS Name: 5-(2-chloro-4-methylphenoxy)-2-nitrobenzoic acid (1-ethoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-ethoxy-1-oxopropan-2-yl) 5-(2-chloro-4-methylphenoxy)-2-nitrobenzoate Traditional Name: 5-(2-chloro-4-methyl-phenoxy)-2-nitro-benzoic acid (2-ethoxy-2-keto-1-methyl-ethyl) ester Formula: C19H18ClNO7 MolecularWeight: 407.80172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClNO7/c1-4-26-18(22)12(3)27-19(23)14-10-13(6-7-16(14)21(24)25)28-17-8-5-11(2)9-15(17)20/h5-10,12H,4H2,1-3H3