2-[[[5-chloranyl-4-fluoranyl-2-methyl-3-(4-methylpiperazin-1-yl)-6-nitro-phenyl]-cyclopropyl-amino]methylidene]propanedioic acid

Systemtic Name: 2-[[[5-chloranyl-4-fluoranyl-2-methyl-3-(4-methylpiperazin-1-yl)-6-nitro-phenyl]-cyclopropyl-amino]methylidene]propanedioic acid Openeye Name: 2-[[5-chloro-N-cyclopropyl-4-fluoro-2-methyl-3-(4-methylpiperazin-1-yl)-6-nitro-anilino]methylene]propanedioic acid CAS Name: 2-[[5-chloro-N-cyclopropyl-4-fluoro-2-methyl-3-(4-methyl-1-piperazinyl)-6-nitroanilino]methylidene]propanedioic acid IUPAC Name: 2-[[5-chloro-N-cyclopropyl-4-fluoro-2-methyl-3-(4-methylpiperazin-1-yl)-6-nitroanilino]methylidene]propanedioic acid Traditional Name: 2-[[5-chloro-N-cyclopropyl-4-fluoro-2-methyl-3-(4-methylpiperazino)-6-nitro-anilino]methylene]malonic acid Formula: C19H22ClFN4O6 MolecularWeight: 456.852583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1N(C=C(C(=O)O)C(=O)O)C2CC2)[N+](=O)[O-])Cl)F)N3CCN(CC3)C

Isomeric SMILES

CC1=C(C(=C(C(=C1N(C=C(C(=O)O)C(=O)O)C2CC2)[N+](=O)[O-])Cl)F)N3CCN(CC3)C

InChI

InChI=1S/C19H22ClFN4O6/c1-10-15(23-7-5-22(2)6-8-23)14(21)13(20)17(25(30)31)16(10)24(11-3-4-11)9-12(18(26)27)19(28)29/h9,11H,3-8H2,1-2H3,(H,26,27)(H,28,29)