methyl 3-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-(4-fluoroanilino)-2-oxo-ethyl]-methyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-fluoroanilino)-2-oxoethyl]-methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(4-fluoroanilino)-2-keto-ethyl]-methyl-carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H16FN3O6 MolecularWeight: 389.334543

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN(CC(=O)NC1=CC=C(C=C1)F)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H16FN3O6/c1-21(10-16(23)20-14-5-3-13(19)4-6-14)17(24)11-7-12(18(25)28-2)9-15(8-11)22(26)27/h3-9H,10H2,1-2H3,(H,20,23)