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

Systemtic Name: methyl 3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(2,5-dimethoxybenzyl)piperazine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O7/c1-30-19-4-5-20(31-2)17(13-19)14-23-6-8-24(9-7-23)21(26)15-10-16(22(27)32-3)12-18(11-15)25(28)29/h4-5,10-13H,6-9,14H2,1-3H3