methyl 2-(4-cyclopentylpiperazin-1-yl)-5-nitro-benzoate

Systemtic Name: methyl 2-(4-cyclopentylpiperazin-1-yl)-5-nitro-benzoate Openeye Name: methyl 2-(4-cyclopentylpiperazin-1-yl)-5-nitro-benzoate CAS Name: 2-(4-cyclopentyl-1-piperazinyl)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(4-cyclopentylpiperazin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-cyclopentylpiperazino)-5-nitro-benzoic acid methyl ester Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C3CCCC3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)C3CCCC3

InChI

InChI=1S/C17H23N3O4/c1-24-17(21)15-12-14(20(22)23)6-7-16(15)19-10-8-18(9-11-19)13-4-2-3-5-13/h6-7,12-13H,2-5,8-11H2,1H3