[2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate Openeye Name: [2-[[2-(4-fluoroanilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [2-[[2-(4-fluoroanilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C18H17FN4O6 MolecularWeight: 404.349183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN4O6/c1-22(9-16(24)21-12-4-2-11(19)3-5-12)17(25)10-29-18(26)14-7-6-13(23(27)28)8-15(14)20/h2-8H,9-10,20H2,1H3,(H,21,24)