(E)-3-(2-nitro-4-piperazin-2-yl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(2-nitro-4-piperazin-2-yl-phenyl)prop-2-enoic acid Openeye Name: (E)-3-(2-nitro-4-piperazin-2-yl-phenyl)prop-2-enoic acid CAS Name: (E)-3-[2-nitro-4-(2-piperazinyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-(2-nitro-4-piperazin-2-ylphenyl)prop-2-enoic acid Traditional Name: (E)-3-(2-nitro-4-piperazin-2-yl-phenyl)acrylic acid Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(CN1)C2=CC(=C(C=C2)C=CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CNC(CN1)C2=CC(=C(C=C2)/C=C/C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4/c17-13(18)4-3-9-1-2-10(7-12(9)16(19)20)11-8-14-5-6-15-11/h1-4,7,11,14-15H,5-6,8H2,(H,17,18)/b4-3+