methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitro-benzoate

Systemtic Name: methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitro-benzoate Openeye Name: methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitro-benzoate CAS Name: 4-[4-(2,4-dimethoxyphenyl)-1-piperazinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-3-nitrobenzoate Traditional Name: 4-[4-(2,4-dimethoxyphenyl)piperazino]-3-nitro-benzoic acid methyl ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6/c1-27-15-5-7-17(19(13-15)28-2)22-10-8-21(9-11-22)16-6-4-14(20(24)29-3)12-18(16)23(25)26/h4-7,12-13H,8-11H2,1-3H3