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

Systemtic Name: 2-[[cyclopropyl-(4-fluoranyl-2-methyl-3-morpholin-4-yl-6-nitro-phenyl)amino]methylidene]propanedioic acid Openeye Name: 2-[(N-cyclopropyl-4-fluoro-2-methyl-3-morpholino-6-nitro-anilino)methylene]propanedioic acid CAS Name: 2-[[N-cyclopropyl-4-fluoro-2-methyl-3-(4-morpholinyl)-6-nitroanilino]methylidene]propanedioic acid IUPAC Name: 2-[(N-cyclopropyl-4-fluoro-2-methyl-3-morpholin-4-yl-6-nitroanilino)methylidene]propanedioic acid Traditional Name: 2-[(N-cyclopropyl-4-fluoro-2-methyl-3-morpholino-6-nitro-anilino)methylene]malonic acid Formula: C18H20FN3O7 MolecularWeight: 409.365703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1N2CCOCC2)F)[N+](=O)[O-])N(C=C(C(=O)O)C(=O)O)C3CC3

Isomeric SMILES

CC1=C(C(=CC(=C1N2CCOCC2)F)[N+](=O)[O-])N(C=C(C(=O)O)C(=O)O)C3CC3

InChI

InChI=1S/C18H20FN3O7/c1-10-15(20-4-6-29-7-5-20)13(19)8-14(22(27)28)16(10)21(11-2-3-11)9-12(17(23)24)18(25)26/h8-9,11H,2-7H2,1H3,(H,23,24)(H,25,26)