2-[1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]pyrrol-2-yl]naphthalene-1,4-dione

Systemtic Name: 2-[1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]pyrrol-2-yl]naphthalene-1,4-dione Openeye Name: 2-[1-[2-hydroxy-1-(hydroxymethyl)-1-methyl-ethyl]pyrrol-2-yl]naphthalene-1,4-dione CAS Name: 2-[1-(1,3-dihydroxy-2-methylpropan-2-yl)-2-pyrrolyl]naphthalene-1,4-dione IUPAC Name: 2-[1-(1,3-dihydroxy-2-methylpropan-2-yl)pyrrol-2-yl]naphthalene-1,4-dione Traditional Name: 2-[1-(2-hydroxy-1-methyl-1-methylol-ethyl)pyrrol-2-yl]-1,4-naphthoquinone Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)N1C=CC=C1C2=CC(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(CO)(CO)N1C=CC=C1C2=CC(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H17NO4/c1-18(10-20,11-21)19-8-4-7-15(19)14-9-16(22)12-5-2-3-6-13(12)17(14)23/h2-9,20-21H,10-11H2,1H3