(E)-3-[4-(3-cyanopropoxy)-3-nitro-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(3-cyanopropoxy)-3-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(3-cyanopropoxy)-3-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(3-cyanopropoxy)-3-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(3-cyanopropoxy)-3-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(3-cyanopropoxy)-3-nitro-phenyl]acrylic acid Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)O)[N+](=O)[O-])OCCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O5/c14-7-1-2-8-20-12-5-3-10(4-6-13(16)17)9-11(12)15(18)19/h3-6,9H,1-2,8H2,(H,16,17)/b6-4+