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

Systemtic Name: ethyl 4-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]amino]benzoate CAS Name: 4-[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]benzoate Traditional Name: 4-[[4-(4-methylpiperidino)-3-nitro-benzoyl]amino]benzoic acid ethyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-3-30-22(27)16-4-7-18(8-5-16)23-21(26)17-6-9-19(20(14-17)25(28)29)24-12-10-15(2)11-13-24/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,26)