2-[3-(cyanomethyl)-4-nitro-phenyl]propanoic acid

Systemtic Name: 2-[3-(cyanomethyl)-4-nitro-phenyl]propanoic acid Openeye Name: 2-[3-(cyanomethyl)-4-nitro-phenyl]propanoic acid CAS Name: 2-[3-(cyanomethyl)-4-nitrophenyl]propanoic acid IUPAC Name: 2-[3-(cyanomethyl)-4-nitrophenyl]propanoic acid Traditional Name: 2-[3-(cyanomethyl)-4-nitro-phenyl]propionic acid Formula: C11H10N2O4 MolecularWeight: 234.2081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O4/c1-7(11(14)15)8-2-3-10(13(16)17)9(6-8)4-5-12/h2-3,6-7H,4H2,1H3,(H,14,15)