(E)-3-azanyl-2-ethoxycarbonyl-prop-2-enoate; 1-cyclopropyl-1-(2-fluoranyl-6-nitro-phenyl)-4-methyl-piperazin-1-ium

Systemtic Name: (E)-3-azanyl-2-ethoxycarbonyl-prop-2-enoate; 1-cyclopropyl-1-(2-fluoranyl-6-nitro-phenyl)-4-methyl-piperazin-1-ium Openeye Name: (E)-3-amino-2-ethoxycarbonyl-prop-2-enoate; 1-cyclopropyl-1-(2-fluoro-6-nitro-phenyl)-4-methyl-piperazin-1-ium CAS Name: (E)-3-amino-2-ethoxycarbonyl-2-propenoate; 1-cyclopropyl-1-(2-fluoro-6-nitrophenyl)-4-methylpiperazin-1-ium IUPAC Name: (E)-3-amino-2-ethoxycarbonylprop-2-enoate; 1-cyclopropyl-1-(2-fluoro-6-nitrophenyl)-4-methylpiperazin-1-ium Traditional Name: (E)-3-amino-2-carbethoxy-acrylate; 1-cyclopropyl-1-(2-fluoro-6-nitro-phenyl)-4-methyl-piperazin-1-ium Formula: C20H27FN4O6 MolecularWeight: 438.449983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN)C(=O)[O-].CN1CC[N+](CC1)(C2CC2)C3=C(C=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C(=C/N)/C(=O)[O-].CN1CC[N+](CC1)(C2CC2)C3=C(C=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C14H19FN3O2.C6H9NO4/c1-16-7-9-18(10-8-16,11-5-6-11)14-12(15)3-2-4-13(14)17(19)20;1-2-11-6(10)4(3-7)5(8)9/h2-4,11H,5-10H2,1H3;3H,2,7H2,1H3,(H,8,9)/q+1;/p-1/b;4-3+