(E)-3-[2-[(2S)-2-methylpiperidin-1-yl]-5-nitro-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[2-[(2S)-2-methylpiperidin-1-yl]-5-nitro-phenyl]prop-2-enoate Openeye Name: (E)-3-[2-[(2S)-2-methyl-1-piperidyl]-5-nitro-phenyl]prop-2-enoate CAS Name: (E)-3-[2-[(2S)-2-methyl-1-piperidinyl]-5-nitrophenyl]-2-propenoate IUPAC Name: (E)-3-[2-[(2S)-2-methylpiperidin-1-yl]-5-nitrophenyl]prop-2-enoate Traditional Name: (E)-3-[2-[(2S)-2-methylpiperidino]-5-nitro-phenyl]acrylate Formula: C15H17N2O4- MolecularWeight: 289.30648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CCCCN1C2=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)/p-1/b8-5+/t11-/m0/s1