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

Systemtic Name: (E)-3-[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(4-methylpiperazin-1-yl)-5-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(4-methyl-1-piperazinyl)-5-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(4-methylpiperazino)-5-nitro-phenyl]acrylic acid Formula: C14H17N3O4 MolecularWeight: 291.30248

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=CC(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=C/C(=O)O

InChI

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