2-[2-[(E)-but-1-enyl]-3-nitro-phenoxy]ethanoic acid

Systemtic Name: 2-[2-[(E)-but-1-enyl]-3-nitro-phenoxy]ethanoic acid Openeye Name: 2-[2-[(E)-but-1-enyl]-3-nitro-phenoxy]acetic acid CAS Name: 2-[2-[(E)-but-1-enyl]-3-nitrophenoxy]acetic acid IUPAC Name: 2-[2-[(E)-but-1-enyl]-3-nitrophenoxy]acetic acid Traditional Name: 2-[2-[(E)-but-1-enyl]-3-nitro-phenoxy]acetic acid Formula: C12H13NO5 MolecularWeight: 251.23532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CC1=C(C=CC=C1OCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC/C=C/C1=C(C=CC=C1OCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO5/c1-2-3-5-9-10(13(16)17)6-4-7-11(9)18-8-12(14)15/h3-7H,2,8H2,1H3,(H,14,15)/b5-3+