(E)-3-(5-nitro-2-propoxy-phenyl)but-2-enoic acid

Systemtic Name: (E)-3-(5-nitro-2-propoxy-phenyl)but-2-enoic acid Openeye Name: (E)-3-(5-nitro-2-propoxy-phenyl)but-2-enoic acid CAS Name: (E)-3-(5-nitro-2-propoxyphenyl)-2-butenoic acid IUPAC Name: (E)-3-(5-nitro-2-propoxyphenyl)but-2-enoic acid Traditional Name: (E)-3-(5-nitro-2-propoxy-phenyl)but-2-enoic acid Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C(=CC(=O)O)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[N+](=O)[O-])/C(=C/C(=O)O)/C

InChI

InChI=1S/C13H15NO5/c1-3-6-19-12-5-4-10(14(17)18)8-11(12)9(2)7-13(15)16/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)/b9-7+