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

Systemtic Name: [2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(ethylamino)-3-nitro-benzoate Openeye Name: [2-(4-chloro-2-fluoro-anilino)-2-oxo-ethyl] 4-(ethylamino)-3-nitro-benzoate CAS Name: 4-(ethylamino)-3-nitrobenzoic acid [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-(ethylamino)-3-nitrobenzoate Traditional Name: 4-(ethylamino)-3-nitro-benzoic acid [2-(4-chloro-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C17H15ClFN3O5 MolecularWeight: 395.769503

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)F)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClFN3O5/c1-2-20-14-5-3-10(7-15(14)22(25)26)17(24)27-9-16(23)21-13-6-4-11(18)8-12(13)19/h3-8,20H,2,9H2,1H3,(H,21,23)