methyl 4-[1-[[3-[3-fluoranyl-4-[(2-fluorophenyl)carbamoylamino]phenyl]-2-oxidanylidene-propyl]amino]ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[1-[[3-[3-fluoranyl-4-[(2-fluorophenyl)carbamoylamino]phenyl]-2-oxidanylidene-propyl]amino]ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[1-[[3-[3-fluoro-4-[(2-fluorophenyl)carbamoylamino]phenyl]-2-oxo-propyl]amino]ethoxy]-3-nitro-benzoate CAS Name: 4-[1-[[3-[3-fluoro-4-[[(2-fluoroanilino)-oxomethyl]amino]phenyl]-2-oxopropyl]amino]ethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[1-[[3-[3-fluoro-4-[(2-fluorophenyl)carbamoylamino]phenyl]-2-oxopropyl]amino]ethoxy]-3-nitrobenzoate Traditional Name: 4-[1-[[3-[3-fluoro-4-[(2-fluorophenyl)carbamoylamino]phenyl]-2-keto-propyl]amino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C26H24F2N4O7 MolecularWeight: 542.488166

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Descriptors Computed from Structure

Canonical SMILES:

CC(NCC(=O)CC1=CC(=C(C=C1)NC(=O)NC2=CC=CC=C2F)F)OC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(NCC(=O)CC1=CC(=C(C=C1)NC(=O)NC2=CC=CC=C2F)F)OC3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H24F2N4O7/c1-15(39-24-10-8-17(25(34)38-2)13-23(24)32(36)37)29-14-18(33)11-16-7-9-22(20(28)12-16)31-26(35)30-21-6-4-3-5-19(21)27/h3-10,12-13,15,29H,11,14H2,1-2H3,(H2,30,31,35)