ethyl 3-[[4-fluoranyl-3-[(2-methylfuran-3-yl)carbonylamino]phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[4-fluoranyl-3-[(2-methylfuran-3-yl)carbonylamino]phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-fluoro-3-[[(2-methyl-3-furanyl)-oxomethyl]amino]anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-fluoro-3-[(2-methyl-3-furoyl)amino]phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C22H18FN3O7 MolecularWeight: 455.392623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)NC(=O)C3=C(OC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)NC(=O)C3=C(OC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H18FN3O7/c1-3-32-22(29)14-8-13(9-16(10-14)26(30)31)20(27)24-15-4-5-18(23)19(11-15)25-21(28)17-6-7-33-12(17)2/h4-11H,3H2,1-2H3,(H,24,27)(H,25,28)