[2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: [2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: [2-(5-chloro-2-fluoro-anilino)-2-oxo-ethyl] 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid [2-(5-chloro-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C18H15ClFN3O5 MolecularWeight: 407.780203

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)F)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClFN3O5/c19-11-2-5-13(20)15(8-11)22-17(24)9-28-18(25)10-1-6-14(21-12-3-4-12)16(7-10)23(26)27/h1-2,5-8,12,21H,3-4,9H2,(H,22,24)