propan-2-yl 4-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]benzoate

Systemtic Name: propan-2-yl 4-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 4-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]benzoate Traditional Name: 4-[[4-(4-methylpiperidino)-3-nitro-benzoyl]amino]benzoic acid isopropyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5/c1-15(2)31-23(28)17-4-7-19(8-5-17)24-22(27)18-6-9-20(21(14-18)26(29)30)25-12-10-16(3)11-13-25/h4-9,14-16H,10-13H2,1-3H3,(H,24,27)