3-nitro-2-propoxycarbonyl-benzoic acid

Systemtic Name: 3-nitro-2-propoxycarbonyl-benzoic acid Openeye Name: 3-nitro-2-propoxycarbonyl-benzoic acid CAS Name: 3-nitro-2-[oxo(propoxy)methyl]benzoic acid IUPAC Name: 3-nitro-2-propoxycarbonylbenzoic acid Traditional Name: 3-nitro-2-propoxycarbonyl-benzoic acid Formula: C11H11NO6 MolecularWeight: 253.20814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO6/c1-2-6-18-11(15)9-7(10(13)14)4-3-5-8(9)12(16)17/h3-5H,2,6H2,1H3,(H,13,14)