methyl 2,4-bis(fluoranyl)-5-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 2,4-bis(fluoranyl)-5-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: methyl 2,4-difluoro-5-[[3-nitro-4-(1-piperidyl)benzoyl]amino]benzoate CAS Name: 2,4-difluoro-5-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2,4-difluoro-5-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]benzoate Traditional Name: 2,4-difluoro-5-[(3-nitro-4-piperidino-benzoyl)amino]benzoic acid methyl ester Formula: C20H19F2N3O5 MolecularWeight: 419.378766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H19F2N3O5/c1-30-20(27)13-10-16(15(22)11-14(13)21)23-19(26)12-5-6-17(18(9-12)25(28)29)24-7-3-2-4-8-24/h5-6,9-11H,2-4,7-8H2,1H3,(H,23,26)