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

Systemtic Name: propan-2-yl 4-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: isopropyl 4-[[3-nitro-4-(1-piperidyl)benzoyl]amino]benzoate CAS Name: 4-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]benzoate Traditional Name: 4-[(3-nitro-4-piperidino-benzoyl)amino]benzoic acid isopropyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-15(2)30-22(27)16-6-9-18(10-7-16)23-21(26)17-8-11-19(20(14-17)25(28)29)24-12-4-3-5-13-24/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,23,26)