2,3-dinitrooxypropyl 2-[2-[(2-chloranyl-6-fluoranyl-phenyl)amino]-5-methyl-phenyl]ethanoate

Systemtic Name: 2,3-dinitrooxypropyl 2-[2-[(2-chloranyl-6-fluoranyl-phenyl)amino]-5-methyl-phenyl]ethanoate Openeye Name: 2,3-dinitrooxypropyl 2-[2-(2-chloro-6-fluoro-anilino)-5-methyl-phenyl]acetate CAS Name: 2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid 2,3-dinitrooxypropyl ester IUPAC Name: 2,3-dinitrooxypropyl 2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetate Traditional Name: 2-[2-(2-chloro-6-fluoro-anilino)-5-methyl-phenyl]acetic acid 2,3-dinitrooxypropyl ester Formula: C18H17ClFN3O8 MolecularWeight: 457.794283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C=CC=C2Cl)F)CC(=O)OCC(CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C=CC=C2Cl)F)CC(=O)OCC(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C18H17ClFN3O8/c1-11-5-6-16(21-18-14(19)3-2-4-15(18)20)12(7-11)8-17(24)29-9-13(31-23(27)28)10-30-22(25)26/h2-7,13,21H,8-10H2,1H3