methyl 4-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-3-nitro-benzoate

Systemtic Name: methyl 4-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-3-nitro-benzoate Openeye Name: methyl 4-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-nitro-benzoate CAS Name: 4-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-nitrobenzoate Traditional Name: 3-nitro-4-(4-p-anisoylpiperazino)benzoic acid methyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6/c1-28-16-6-3-14(4-7-16)19(24)22-11-9-21(10-12-22)17-8-5-15(20(25)29-2)13-18(17)23(26)27/h3-8,13H,9-12H2,1-2H3