4-methyl-3-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]benzoate

Systemtic Name: 4-methyl-3-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: 4-methyl-3-[[5-nitro-2-(1-piperidyl)benzoyl]amino]benzoate CAS Name: 4-methyl-3-[[[5-nitro-2-(1-piperidinyl)phenyl]-oxomethyl]amino]benzoate IUPAC Name: 4-methyl-3-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]benzoate Traditional Name: 4-methyl-3-[(5-nitro-2-piperidino-benzoyl)amino]benzoate Formula: C20H20N3O5- MolecularWeight: 382.3899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C20H21N3O5/c1-13-5-6-14(20(25)26)11-17(13)21-19(24)16-12-15(23(27)28)7-8-18(16)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,24)(H,25,26)/p-1