(E)-3-[2-[4-(2-methoxyphenyl)piperidin-1-yl]-5-nitro-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-[4-(2-methoxyphenyl)piperidin-1-yl]-5-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-[4-(2-methoxyphenyl)-1-piperidyl]-5-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-[4-(2-methoxyphenyl)-1-piperidinyl]-5-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-[4-(2-methoxyphenyl)piperidin-1-yl]-5-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-[4-(2-methoxyphenyl)piperidino]-5-nitro-phenyl]acrylic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C=CC(=O)O

Isomeric SMILES

COC1=CC=CC=C1C2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])/C=C/C(=O)O

InChI

InChI=1S/C21H22N2O5/c1-28-20-5-3-2-4-18(20)15-10-12-22(13-11-15)19-8-7-17(23(26)27)14-16(19)6-9-21(24)25/h2-9,14-15H,10-13H2,1H3,(H,24,25)/b9-6+