2-methylidene-4-[2-(nitromethyl)phenyl]butanoic acid

Systemtic Name: 2-methylidene-4-[2-(nitromethyl)phenyl]butanoic acid Openeye Name: 2-methylene-4-[2-(nitromethyl)phenyl]butanoic acid CAS Name: 2-methylene-4-[2-(nitromethyl)phenyl]butanoic acid IUPAC Name: 2-methylidene-4-[2-(nitromethyl)phenyl]butanoic acid Traditional Name: 2-[2-[2-(nitromethyl)phenyl]ethyl]acrylic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CCC1=CC=CC=C1C[N+](=O)[O-])C(=O)O

Isomeric SMILES

C=C(CCC1=CC=CC=C1C[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H13NO4/c1-9(12(14)15)6-7-10-4-2-3-5-11(10)8-13(16)17/h2-5H,1,6-8H2,(H,14,15)