diethyl 2-[[cyclopropyl-[2-fluoranyl-3-(4-methylpiperazin-1-yl)-4-nitro-phenyl]amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[cyclopropyl-[2-fluoranyl-3-(4-methylpiperazin-1-yl)-4-nitro-phenyl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[N-cyclopropyl-2-fluoro-3-(4-methylpiperazin-1-yl)-4-nitro-anilino]methylene]propanedioate CAS Name: 2-[[N-cyclopropyl-2-fluoro-3-(4-methyl-1-piperazinyl)-4-nitroanilino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[N-cyclopropyl-2-fluoro-3-(4-methylpiperazin-1-yl)-4-nitroanilino]methylidene]propanedioate Traditional Name: 2-[[N-cyclopropyl-2-fluoro-3-(4-methylpiperazino)-4-nitro-anilino]methylene]malonic acid diethyl ester Formula: C22H29FN4O6 MolecularWeight: 464.487263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN(C1CC1)C2=C(C(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CN(C1CC1)C2=C(C(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C)F)C(=O)OCC

InChI

InChI=1S/C22H29FN4O6/c1-4-32-21(28)16(22(29)33-5-2)14-26(15-6-7-15)17-8-9-18(27(30)31)20(19(17)23)25-12-10-24(3)11-13-25/h8-9,14-15H,4-7,10-13H2,1-3H3