diethyl 2-[[cyclopropyl-(4-fluoranyl-3-methyl-2-nitro-5-piperazin-1-yl-phenyl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[cyclopropyl-(4-fluoranyl-3-methyl-2-nitro-5-piperazin-1-yl-phenyl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[(N-cyclopropyl-4-fluoro-3-methyl-2-nitro-5-piperazin-1-yl-anilino)methylene]propanedioate CAS Name: 2-[[N-cyclopropyl-4-fluoro-3-methyl-2-nitro-5-(1-piperazinyl)anilino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(N-cyclopropyl-4-fluoro-3-methyl-2-nitro-5-piperazin-1-ylanilino)methylidene]propanedioate Traditional Name: 2-[(N-cyclopropyl-4-fluoro-3-methyl-2-nitro-5-piperazino-anilino)methylene]malonic acid diethyl ester Formula: C22H29FN4O6 MolecularWeight: 464.487263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN(C1CC1)C2=C(C(=C(C(=C2)N3CCNCC3)F)C)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CN(C1CC1)C2=C(C(=C(C(=C2)N3CCNCC3)F)C)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C22H29FN4O6/c1-4-32-21(28)16(22(29)33-5-2)13-26(15-6-7-15)18-12-17(25-10-8-24-9-11-25)19(23)14(3)20(18)27(30)31/h12-13,15,24H,4-11H2,1-3H3