3-nitro-4-prop-2-ynoxy-benzoic acid

Systemtic Name: 3-nitro-4-prop-2-ynoxy-benzoic acid Openeye Name: 3-nitro-4-prop-2-ynoxy-benzoic acid CAS Name: 3-nitro-4-prop-2-ynoxybenzoic acid IUPAC Name: 3-nitro-4-prop-2-ynoxybenzoic acid Traditional Name: 3-nitro-4-propargyloxy-benzoic acid Formula: C10H7NO5 MolecularWeight: 221.16628

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H7NO5/c1-2-5-16-9-4-3-7(10(12)13)6-8(9)11(14)15/h1,3-4,6H,5H2,(H,12,13)