4-nitro-3-(1-propan-2-yloxyethyl)benzoic acid

Systemtic Name: 4-nitro-3-(1-propan-2-yloxyethyl)benzoic acid Openeye Name: 3-(1-isopropoxyethyl)-4-nitro-benzoic acid CAS Name: 4-nitro-3-(1-propan-2-yloxyethyl)benzoic acid IUPAC Name: 4-nitro-3-(1-propan-2-yloxyethyl)benzoic acid Traditional Name: 3-(1-isopropoxyethyl)-4-nitro-benzoic acid Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5/c1-7(2)18-8(3)10-6-9(12(14)15)4-5-11(10)13(16)17/h4-8H,1-3H3,(H,14,15)