(E)-3-[2-(2-methylpiperidin-1-yl)-5-nitro-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(2-methylpiperidin-1-yl)-5-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(2-methyl-1-piperidyl)-5-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(2-methyl-1-piperidinyl)-5-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(2-methylpiperidin-1-yl)-5-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(2-methylpiperidino)-5-nitro-phenyl]acrylic acid Formula: C15H18N2O4 MolecularWeight: 290.31442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C=CC(=O)O

Isomeric SMILES

CC1CCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])/C=C/C(=O)O

InChI

InChI=1S/C15H18N2O4/c1-11-4-2-3-9-16(11)14-7-6-13(17(20)21)10-12(14)5-8-15(18)19/h5-8,10-11H,2-4,9H2,1H3,(H,18,19)/b8-5+