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

Systemtic Name: [2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(4-chloro-2-fluoro-anilino)-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(4-chloro-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C16H13ClFN3O5 MolecularWeight: 381.742923

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)F)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)F)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClFN3O5/c1-19-13-4-2-9(6-14(13)21(24)25)16(23)26-8-15(22)20-12-5-3-10(17)7-11(12)18/h2-7,19H,8H2,1H3,(H,20,22)