[2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-4-nitro-benzoate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)-4-fluoro-anilino)-2-oxo-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [2-(N-(3-amino-3-keto-propyl)-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C18H17FN4O6 MolecularWeight: 404.349183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(CCC(=O)N)C(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N)F

Isomeric SMILES

C1=CC(=CC=C1N(CCC(=O)N)C(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N)F

InChI

InChI=1S/C18H17FN4O6/c19-11-1-3-12(4-2-11)22(8-7-16(21)24)17(25)10-29-18(26)14-6-5-13(23(27)28)9-15(14)20/h1-6,9H,7-8,10,20H2,(H2,21,24)