(E)-3-(5-nitro-2-pyrrolidin-1-yl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(5-nitro-2-pyrrolidin-1-yl-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(5-nitro-2-pyrrolidin-1-yl-phenyl)prop-2-enoic acid CAS Name: (E)-3-[5-nitro-2-(1-pyrrolidinyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-(5-nitro-2-pyrrolidin-1-ylphenyl)prop-2-enoic acid Traditional Name: (E)-3-(5-nitro-2-pyrrolidino-phenyl)acrylic acid Formula: C13H14N2O4 MolecularWeight: 262.26126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C=CC(=O)O

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=C/C(=O)O

InChI

InChI=1S/C13H14N2O4/c16-13(17)6-3-10-9-11(15(18)19)4-5-12(10)14-7-1-2-8-14/h3-6,9H,1-2,7-8H2,(H,16,17)/b6-3+