dimethyl 5-[(4-fluoranyl-3-nitro-phenyl)carbamoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-fluoranyl-3-nitro-phenyl)carbamoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-fluoro-3-nitro-phenyl)carbamoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-fluoro-3-nitroanilino)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-fluoro-3-nitrophenyl)carbamoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-fluoro-3-nitro-phenyl)carbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H14FN3O7 MolecularWeight: 391.307363

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H14FN3O7/c1-27-15(22)9-5-10(16(23)28-2)7-12(6-9)20-17(24)19-11-3-4-13(18)14(8-11)21(25)26/h3-8H,1-2H3,(H2,19,20,24)