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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22FN3O5/c1-13-4-3-9-24(12-13)18-8-6-14(11-19(18)25(28)29)20(26)23-17-10-15(21(27)30-2)5-7-16(17)22/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,23,26)