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

Systemtic Name: (E)-3-(3-nitro-2-piperidin-1-yl-phenyl)prop-2-enoic acid Openeye Name: (E)-3-[3-nitro-2-(1-piperidyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-nitro-2-(1-piperidinyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-(3-nitro-2-piperidin-1-ylphenyl)prop-2-enoic acid Traditional Name: (E)-3-(3-nitro-2-piperidino-phenyl)acrylic acid Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC=C2[N+](=O)[O-])C=CC(=O)O

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC=C2[N+](=O)[O-])/C=C/C(=O)O

InChI

InChI=1S/C14H16N2O4/c17-13(18)8-7-11-5-4-6-12(16(19)20)14(11)15-9-2-1-3-10-15/h4-8H,1-3,9-10H2,(H,17,18)/b8-7+