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

Systemtic Name: methyl 2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-5-nitrobenzoate Traditional Name: 5-nitro-2-(4-veratroylpiperazino)benzoic acid methyl ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7/c1-29-18-7-4-14(12-19(18)30-2)20(25)23-10-8-22(9-11-23)17-6-5-15(24(27)28)13-16(17)21(26)31-3/h4-7,12-13H,8-11H2,1-3H3