2-(3-cyanopropoxy)-5-nitro-benzoic acid

Systemtic Name: 2-(3-cyanopropoxy)-5-nitro-benzoic acid Openeye Name: 2-(3-cyanopropoxy)-5-nitro-benzoic acid CAS Name: 2-(3-cyanopropoxy)-5-nitrobenzoic acid IUPAC Name: 2-(3-cyanopropoxy)-5-nitrobenzoic acid Traditional Name: 2-(3-cyanopropoxy)-5-nitro-benzoic acid Formula: C11H10N2O5 MolecularWeight: 250.2075

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O5/c12-5-1-2-6-18-10-4-3-8(13(16)17)7-9(10)11(14)15/h3-4,7H,1-2,6H2,(H,14,15)