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

Systemtic Name: 2-[[cyclopropyl-[2-ethyl-4-fluoranyl-3-(4-methylpiperazin-1-yl)-6-nitro-phenyl]amino]methylidene]propanedioic acid Openeye Name: 2-[[N-cyclopropyl-2-ethyl-4-fluoro-3-(4-methylpiperazin-1-yl)-6-nitro-anilino]methylene]propanedioic acid CAS Name: 2-[[N-cyclopropyl-2-ethyl-4-fluoro-3-(4-methyl-1-piperazinyl)-6-nitroanilino]methylidene]propanedioic acid IUPAC Name: 2-[[N-cyclopropyl-2-ethyl-4-fluoro-3-(4-methylpiperazin-1-yl)-6-nitroanilino]methylidene]propanedioic acid Traditional Name: 2-[[N-cyclopropyl-2-ethyl-4-fluoro-3-(4-methylpiperazino)-6-nitro-anilino]methylene]malonic acid Formula: C20H25FN4O6 MolecularWeight: 436.434103

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1N2CCN(CC2)C)F)[N+](=O)[O-])N(C=C(C(=O)O)C(=O)O)C3CC3

Isomeric SMILES

CCC1=C(C(=CC(=C1N2CCN(CC2)C)F)[N+](=O)[O-])N(C=C(C(=O)O)C(=O)O)C3CC3

InChI

InChI=1S/C20H25FN4O6/c1-3-13-17(23-8-6-22(2)7-9-23)15(21)10-16(25(30)31)18(13)24(12-4-5-12)11-14(19(26)27)20(28)29/h10-12H,3-9H2,1-2H3,(H,26,27)(H,28,29)