methyl 5-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-nitro-benzoate

Systemtic Name: methyl 5-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-nitro-benzoate Openeye Name: methyl 5-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-nitro-benzoate CAS Name: 5-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-nitrobenzoate Traditional Name: 2-nitro-5-(4-veratrylpiperazino)benzoic acid methyl ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])C(=O)OC)OC

InChI

InChI=1S/C21H25N3O6/c1-28-19-7-4-15(12-20(19)29-2)14-22-8-10-23(11-9-22)16-5-6-18(24(26)27)17(13-16)21(25)30-3/h4-7,12-13H,8-11,14H2,1-3H3