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

Systemtic Name: 2-[[[3-(3-acetamidopyrrolidin-1-yl)-4-fluoranyl-2-methyl-6-nitro-phenyl]-cyclopropyl-amino]methylidene]propanedioic acid Openeye Name: 2-[[3-(3-acetamidopyrrolidin-1-yl)-N-cyclopropyl-4-fluoro-2-methyl-6-nitro-anilino]methylene]propanedioic acid CAS Name: 2-[[3-(3-acetamido-1-pyrrolidinyl)-N-cyclopropyl-4-fluoro-2-methyl-6-nitroanilino]methylidene]propanedioic acid IUPAC Name: 2-[[3-(3-acetamidopyrrolidin-1-yl)-N-cyclopropyl-4-fluoro-2-methyl-6-nitroanilino]methylidene]propanedioic acid Traditional Name: 2-[[3-(3-acetamidopyrrolidino)-N-cyclopropyl-4-fluoro-2-methyl-6-nitro-anilino]methylene]malonic acid Formula: C20H23FN4O7 MolecularWeight: 450.417623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1N2CCC(C2)NC(=O)C)F)[N+](=O)[O-])N(C=C(C(=O)O)C(=O)O)C3CC3

Isomeric SMILES

CC1=C(C(=CC(=C1N2CCC(C2)NC(=O)C)F)[N+](=O)[O-])N(C=C(C(=O)O)C(=O)O)C3CC3

InChI

InChI=1S/C20H23FN4O7/c1-10-17(23-6-5-12(8-23)22-11(2)26)15(21)7-16(25(31)32)18(10)24(13-3-4-13)9-14(19(27)28)20(29)30/h7,9,12-13H,3-6,8H2,1-2H3,(H,22,26)(H,27,28)(H,29,30)