ethyl 3-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-(2-nitrophenyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-(2-nitrophenyl)isonipecotoyl]amino]benzoic acid ethyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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