(E)-3-(2-butoxy-5-nitro-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(2-butoxy-5-nitro-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(2-butoxy-5-nitro-phenyl)prop-2-enoic acid CAS Name: (E)-3-(2-butoxy-5-nitrophenyl)-2-propenoic acid IUPAC Name: (E)-3-(2-butoxy-5-nitrophenyl)prop-2-enoic acid Traditional Name: (E)-3-(2-butoxy-5-nitro-phenyl)acrylic acid Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)[N+](=O)[O-])C=CC(=O)O

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)[N+](=O)[O-])/C=C/C(=O)O

InChI

InChI=1S/C13H15NO5/c1-2-3-8-19-12-6-5-11(14(17)18)9-10(12)4-7-13(15)16/h4-7,9H,2-3,8H2,1H3,(H,15,16)/b7-4+