(E)-3-(4-but-3-ynoxy-3-nitro-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-but-3-ynoxy-3-nitro-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(4-but-3-ynoxy-3-nitro-phenyl)prop-2-enoic acid CAS Name: (E)-3-(4-but-3-ynoxy-3-nitrophenyl)-2-propenoic acid IUPAC Name: (E)-3-(4-but-3-ynoxy-3-nitrophenyl)prop-2-enoic acid Traditional Name: (E)-3-(4-but-3-ynoxy-3-nitro-phenyl)acrylic acid Formula: C13H11NO5 MolecularWeight: 261.23014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO5/c1-2-3-8-19-12-6-4-10(5-7-13(15)16)9-11(12)14(17)18/h1,4-7,9H,3,8H2,(H,15,16)/b7-5+