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

Systemtic Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl] ester Formula: C24H28N4O6 MolecularWeight: 468.50232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C24H28N4O6/c1-33-20-7-4-18(5-8-20)25-12-14-27(15-13-25)23(29)17-34-24(30)21-16-19(28(31)32)6-9-22(21)26-10-2-3-11-26/h4-9,16H,2-3,10-15,17H2,1H3