ethyl 4-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(2-nitrophenyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(2-nitrophenyl)isonipecotoyl]amino]benzoic acid ethyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-2-29-21(26)16-7-9-17(10-8-16)22-20(25)15-11-13-23(14-12-15)18-5-3-4-6-19(18)24(27)28/h3-10,15H,2,11-14H2,1H3,(H,22,25)