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

Systemtic Name: methyl 2-[(3,5-dimethoxyphenyl)-methyl-amino]-5-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzoate Openeye Name: methyl 2-(3,5-dimethoxy-N-methyl-anilino)-5-nitro-4-[4-(2-pyridyl)piperazin-1-yl]benzoate CAS Name: 2-(3,5-dimethoxy-N-methylanilino)-5-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-(3,5-dimethoxy-N-methylanilino)-5-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzoate Traditional Name: 2-(3,5-dimethoxy-N-methyl-anilino)-5-nitro-4-[4-(2-pyridyl)piperazino]benzoic acid methyl ester Formula: C26H29N5O6 MolecularWeight: 507.53836

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=CC(=C1)OC)OC)C2=CC(=C(C=C2C(=O)OC)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CN(C1=CC(=CC(=C1)OC)OC)C2=CC(=C(C=C2C(=O)OC)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C26H29N5O6/c1-28(18-13-19(35-2)15-20(14-18)36-3)22-17-23(24(31(33)34)16-21(22)26(32)37-4)29-9-11-30(12-10-29)25-7-5-6-8-27-25/h5-8,13-17H,9-12H2,1-4H3