2-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-5-nitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-5-nitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-hydroxy-1-(hydroxymethyl)-1-methyl-ethyl]-5-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(1,3-dihydroxy-2-methylpropan-2-yl)-5-nitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(1,3-dihydroxy-2-methylpropan-2-yl)-5-nitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(2-hydroxy-1-methyl-1-methylol-ethyl)-5-nitro-benzo[de]isoquinoline-1,3-quinone Formula: C16H14N2O6 MolecularWeight: 330.29216

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)N1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-]

Isomeric SMILES

CC(CO)(CO)N1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O6/c1-16(7-19,8-20)17-14(21)11-4-2-3-9-5-10(18(23)24)6-12(13(9)11)15(17)22/h2-6,19-20H,7-8H2,1H3