methyl 4-nitro-3-propan-2-yloxy-benzoate

Systemtic Name: methyl 4-nitro-3-propan-2-yloxy-benzoate Openeye Name: methyl 3-isopropoxy-4-nitro-benzoate CAS Name: 4-nitro-3-propan-2-yloxybenzoic acid methyl ester IUPAC Name: methyl 4-nitro-3-propan-2-yloxybenzoate Traditional Name: 3-isopropoxy-4-nitro-benzoic acid methyl ester Formula: C11H13NO5 MolecularWeight: 239.22462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=C(C=CC(=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C11H13NO5/c1-7(2)17-10-6-8(11(13)16-3)4-5-9(10)12(14)15/h4-7H,1-3H3