2-[[cyclopropyl-[3-(4-ethoxycarbonylpiperazin-1-yl)-4-fluoranyl-2-methyl-6-nitro-phenyl]amino]methylidene]propanedioic acid

Systemtic Name: 2-[[cyclopropyl-[3-(4-ethoxycarbonylpiperazin-1-yl)-4-fluoranyl-2-methyl-6-nitro-phenyl]amino]methylidene]propanedioic acid Openeye Name: 2-[[N-cyclopropyl-3-(4-ethoxycarbonylpiperazin-1-yl)-4-fluoro-2-methyl-6-nitro-anilino]methylene]propanedioic acid CAS Name: 2-[[N-cyclopropyl-3-(4-ethoxycarbonyl-1-piperazinyl)-4-fluoro-2-methyl-6-nitroanilino]methylidene]propanedioic acid IUPAC Name: 2-[[N-cyclopropyl-3-(4-ethoxycarbonylpiperazin-1-yl)-4-fluoro-2-methyl-6-nitroanilino]methylidene]propanedioic acid Traditional Name: 2-[[3-(4-carbethoxypiperazino)-N-cyclopropyl-4-fluoro-2-methyl-6-nitro-anilino]methylene]malonic acid Formula: C21H25FN4O8 MolecularWeight: 480.443603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C(=C2C)N(C=C(C(=O)O)C(=O)O)C3CC3)[N+](=O)[O-])F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C(=C2C)N(C=C(C(=O)O)C(=O)O)C3CC3)[N+](=O)[O-])F

InChI

InChI=1S/C21H25FN4O8/c1-3-34-21(31)24-8-6-23(7-9-24)17-12(2)18(16(26(32)33)10-15(17)22)25(13-4-5-13)11-14(19(27)28)20(29)30/h10-11,13H,3-9H2,1-2H3,(H,27,28)(H,29,30)