7-nitro-5,6-bis(oxidanyl)-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one

Systemtic Name: 7-nitro-5,6-bis(oxidanyl)-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one Openeye Name: 5,6-dihydroxy-7-nitro-2-[(4-phenylpiperazin-1-yl)methyl]indan-1-one CAS Name: 5,6-dihydroxy-7-nitro-2-[(4-phenyl-1-piperazinyl)methyl]-2,3-dihydroinden-1-one IUPAC Name: 5,6-dihydroxy-7-nitro-2-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one Traditional Name: 5,6-dihydroxy-7-nitro-2-[(4-phenylpiperazino)methyl]indan-1-one Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2CC3=CC(=C(C(=C3C2=O)[N+](=O)[O-])O)O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2CC3=CC(=C(C(=C3C2=O)[N+](=O)[O-])O)O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O5/c24-16-11-13-10-14(19(25)17(13)18(20(16)26)23(27)28)12-21-6-8-22(9-7-21)15-4-2-1-3-5-15/h1-5,11,14,24,26H,6-10,12H2