(E)-3-[2-(3-cyanopropoxy)-5-nitro-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(3-cyanopropoxy)-5-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(3-cyanopropoxy)-5-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(3-cyanopropoxy)-5-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(3-cyanopropoxy)-5-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(3-cyanopropoxy)-5-nitro-phenyl]acrylic acid Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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