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

Systemtic Name: 2-[[cyclopropyl-(4-fluoranyl-3-methyl-2-nitro-5-piperazin-1-yl-phenyl)amino]methylidene]propanedioic acid Openeye Name: 2-[(N-cyclopropyl-4-fluoro-3-methyl-2-nitro-5-piperazin-1-yl-anilino)methylene]propanedioic acid CAS Name: 2-[[N-cyclopropyl-4-fluoro-3-methyl-2-nitro-5-(1-piperazinyl)anilino]methylidene]propanedioic acid IUPAC Name: 2-[(N-cyclopropyl-4-fluoro-3-methyl-2-nitro-5-piperazin-1-ylanilino)methylidene]propanedioic acid Traditional Name: 2-[(N-cyclopropyl-4-fluoro-3-methyl-2-nitro-5-piperazino-anilino)methylene]malonic acid Formula: C18H21FN4O6 MolecularWeight: 408.380943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1[N+](=O)[O-])N(C=C(C(=O)O)C(=O)O)C2CC2)N3CCNCC3)F

Isomeric SMILES

CC1=C(C(=CC(=C1[N+](=O)[O-])N(C=C(C(=O)O)C(=O)O)C2CC2)N3CCNCC3)F

InChI

InChI=1S/C18H21FN4O6/c1-10-15(19)13(21-6-4-20-5-7-21)8-14(16(10)23(28)29)22(11-2-3-11)9-12(17(24)25)18(26)27/h8-9,11,20H,2-7H2,1H3,(H,24,25)(H,26,27)