methyl 3-[(4-fluorophenyl)methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(4-fluorophenyl)methylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(4-fluorophenyl)methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[(4-fluorophenyl)methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-fluorophenyl)methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-fluorobenzyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C16H13FN2O5 MolecularWeight: 332.283223

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C16H13FN2O5/c1-24-16(21)12-6-11(7-14(8-12)19(22)23)15(20)18-9-10-2-4-13(17)5-3-10/h2-8H,9H2,1H3,(H,18,20)