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

Systemtic Name: methyl 4-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-[[3-nitro-4-(1-piperidyl)benzoyl]amino]benzoate CAS Name: 4-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]benzoate Traditional Name: 4-[(3-nitro-4-piperidino-benzoyl)amino]benzoic acid methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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