3-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one

Systemtic Name: 3-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-1-[3-nitro-4,5-bis(oxidanyl)phenyl]propan-1-one Openeye Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-(3,4-dihydroxy-5-nitrophenyl)-3-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one Traditional Name: 1-(3,4-dihydroxy-5-nitro-phenyl)-3-(4-p-anisoylpiperazino)propan-1-one Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7/c1-31-16-4-2-14(3-5-16)21(28)23-10-8-22(9-11-23)7-6-18(25)15-12-17(24(29)30)20(27)19(26)13-15/h2-5,12-13,26-27H,6-11H2,1H3