2-(3-nitro-4-prop-2-ynoxy-phenyl)butanoic acid

Systemtic Name: 2-(3-nitro-4-prop-2-ynoxy-phenyl)butanoic acid Openeye Name: 2-(3-nitro-4-prop-2-ynoxy-phenyl)butanoic acid CAS Name: 2-(3-nitro-4-prop-2-ynoxyphenyl)butanoic acid IUPAC Name: 2-(3-nitro-4-prop-2-ynoxyphenyl)butanoic acid Traditional Name: 2-(3-nitro-4-propargyloxy-phenyl)butyric acid Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO5/c1-3-7-19-12-6-5-9(8-11(12)14(17)18)10(4-2)13(15)16/h1,5-6,8,10H,4,7H2,2H3,(H,15,16)