3-butoxycarbonyl-5-nitro-benzoic acid

Systemtic Name: 3-butoxycarbonyl-5-nitro-benzoic acid Openeye Name: 3-butoxycarbonyl-5-nitro-benzoic acid CAS Name: 3-[butoxy(oxo)methyl]-5-nitrobenzoic acid IUPAC Name: 3-butoxycarbonyl-5-nitrobenzoic acid Traditional Name: 3-butoxycarbonyl-5-nitro-benzoic acid Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO6/c1-2-3-4-19-12(16)9-5-8(11(14)15)6-10(7-9)13(17)18/h5-7H,2-4H2,1H3,(H,14,15)