2-butoxycarbonyl-3-nitro-benzoic acid

Systemtic Name: 2-butoxycarbonyl-3-nitro-benzoic acid Openeye Name: 2-butoxycarbonyl-3-nitro-benzoic acid CAS Name: 2-[butoxy(oxo)methyl]-3-nitrobenzoic acid IUPAC Name: 2-butoxycarbonyl-3-nitrobenzoic acid Traditional Name: 2-butoxycarbonyl-3-nitro-benzoic acid Formula: C12H13NO6 MolecularWeight: 267.23472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO6/c1-2-3-7-19-12(16)10-8(11(14)15)5-4-6-9(10)13(17)18/h4-6H,2-3,7H2,1H3,(H,14,15)