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

Systemtic Name: (E)-3-[4-(2-dimethylaminoethyloxy)-3-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(2-dimethylaminoethyloxy)-3-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(2-dimethylaminoethyloxy)-3-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(2-dimethylaminoethyloxy)-3-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(2-dimethylaminoethyloxy)-3-nitro-phenyl]acrylic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-14(2)7-8-20-12-5-3-10(4-6-13(16)17)9-11(12)15(18)19/h3-6,9H,7-8H2,1-2H3,(H,16,17)/b6-4+