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

Systemtic Name: methyl 5-nitro-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]benzoate Openeye Name: methyl 5-nitro-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]benzoate CAS Name: 5-nitro-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]benzoate Traditional Name: 2-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]-5-nitro-benzoic acid methyl ester Formula: C18H24N4O5 MolecularWeight: 376.40696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CC(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C18H24N4O5/c1-27-18(24)15-12-14(22(25)26)4-5-16(15)20-10-8-19(9-11-20)13-17(23)21-6-2-3-7-21/h4-5,12H,2-3,6-11,13H2,1H3