methyl 3-[4-[(2-fluorophenyl)carbonylamino]piperidin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-[4-[(2-fluorophenyl)carbonylamino]piperidin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[[(2-fluorophenyl)-oxomethyl]amino]-1-piperidinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C21H20FN3O6 MolecularWeight: 429.398403

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C21H20FN3O6/c1-31-21(28)14-10-13(11-16(12-14)25(29)30)20(27)24-8-6-15(7-9-24)23-19(26)17-4-2-3-5-18(17)22/h2-5,10-12,15H,6-9H2,1H3,(H,23,26)