(2-aminocarbonyl-5-methoxy-phenyl) 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: (2-aminocarbonyl-5-methoxy-phenyl) 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (2-carbamoyl-5-methoxy-phenyl) 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (2-carbamoyl-5-methoxyphenyl) ester IUPAC Name: (2-carbamoyl-5-methoxyphenyl) 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (2-carbamoyl-5-methoxy-phenyl) ester Formula: C20H21N3O6 MolecularWeight: 399.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N)OC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N)OC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-28-14-6-7-15(19(21)24)18(12-14)29-20(25)13-5-8-16(17(11-13)23(26)27)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H2,21,24)