methyl 3-nitro-5-(4-piperidin-1-ylcarbonylpiperazin-1-yl)carbonyl-benzoate

Systemtic Name: methyl 3-nitro-5-(4-piperidin-1-ylcarbonylpiperazin-1-yl)carbonyl-benzoate Openeye Name: methyl 3-nitro-5-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]benzoate CAS Name: 3-nitro-5-[oxo-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]benzoate Traditional Name: 3-nitro-5-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C19H24N4O6 MolecularWeight: 404.41706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O6/c1-29-18(25)15-11-14(12-16(13-15)23(27)28)17(24)20-7-9-22(10-8-20)19(26)21-5-3-2-4-6-21/h11-13H,2-10H2,1H3