methyl 3-[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(2-chloro-6-fluoro-phenyl)methyl-cyclopropyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-chloro-6-fluorophenyl)methyl-cyclopropylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)-cyclopropyl-carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H16ClFN2O5 MolecularWeight: 406.792143

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N(CC2=C(C=CC=C2Cl)F)C3CC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N(CC2=C(C=CC=C2Cl)F)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C19H16ClFN2O5/c1-28-19(25)12-7-11(8-14(9-12)23(26)27)18(24)22(13-5-6-13)10-15-16(20)3-2-4-17(15)21/h2-4,7-9,13H,5-6,10H2,1H3