methyl 4-fluoranyl-3-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-fluoranyl-3-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]benzoate Openeye Name: methyl 4-fluoro-3-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]amino]benzoate CAS Name: 4-fluoro-3-[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-fluoro-3-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]benzoate Traditional Name: 4-fluoro-3-[[4-(4-methylpiperidino)-3-nitro-benzoyl]amino]benzoic acid methyl ester Formula: C21H22FN3O5 MolecularWeight: 415.414883

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22FN3O5/c1-13-7-9-24(10-8-13)18-6-4-14(12-19(18)25(28)29)20(26)23-17-11-15(21(27)30-2)3-5-16(17)22/h3-6,11-13H,7-10H2,1-2H3,(H,23,26)