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

Systemtic Name: ethyl 3-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(2-chloro-6-fluoro-phenyl)methyl-methyl-carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(2-chloro-6-fluorophenyl)methyl-methylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)-methyl-carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C18H16ClFN2O5 MolecularWeight: 394.781443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClFN2O5/c1-3-27-18(24)12-7-11(8-13(9-12)22(25)26)17(23)21(2)10-14-15(19)5-4-6-16(14)20/h4-9H,3,10H2,1-2H3