(E)-3-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]prop-2-enoate Openeye Name: (E)-3-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]-2-propenoate IUPAC Name: (E)-3-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]prop-2-enoate Traditional Name: (E)-3-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]acrylate Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C=CC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)/C=C/C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O4/c1-15-6-8-16(9-7-15)12-4-2-11(3-5-14(18)19)10-13(12)17(20)21/h2-5,10H,6-9H2,1H3,(H,18,19)/b5-3+