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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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