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

Systemtic Name: methyl 3-nitro-5-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-yl]carbonyl-benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H26N4O6 MolecularWeight: 418.44364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O6/c1-30-20(27)16-11-15(12-17(13-16)24(28)29)19(26)23-9-7-21(8-10-23)14-18(25)22-5-3-2-4-6-22/h11-13H,2-10,14H2,1H3