2-[4-[(E)-but-2-enoxy]-3-nitro-phenyl]ethanoic acid

Systemtic Name: 2-[4-[(E)-but-2-enoxy]-3-nitro-phenyl]ethanoic acid Openeye Name: 2-[4-[(E)-but-2-enoxy]-3-nitro-phenyl]acetic acid CAS Name: 2-[4-[(E)-but-2-enoxy]-3-nitrophenyl]acetic acid IUPAC Name: 2-[4-[(E)-but-2-enoxy]-3-nitrophenyl]acetic acid Traditional Name: 2-[4-[(E)-but-2-enoxy]-3-nitro-phenyl]acetic acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCOC1=C(C=C(C=C1)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C/C=C/COC1=C(C=C(C=C1)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO5/c1-2-3-6-18-11-5-4-9(8-12(14)15)7-10(11)13(16)17/h2-5,7H,6,8H2,1H3,(H,14,15)/b3-2+