ethyl 3-nitro-5-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]carbonyl-benzoate

Systemtic Name: ethyl 3-nitro-5-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]carbonyl-benzoate Openeye Name: ethyl 3-nitro-5-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzoate Traditional Name: 3-[4-(2-keto-2-piperidino-ethyl)piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C21H28N4O6 MolecularWeight: 432.47022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O6/c1-2-31-21(28)17-12-16(13-18(14-17)25(29)30)20(27)24-10-8-22(9-11-24)15-19(26)23-6-4-3-5-7-23/h12-14H,2-11,15H2,1H3