1-[[2-(hydroxymethyl)-3-(4-nitrophenyl)-3-oxidanyl-propyl]amino]anthracene-9,10-dione

Systemtic Name: 1-[[2-(hydroxymethyl)-3-(4-nitrophenyl)-3-oxidanyl-propyl]amino]anthracene-9,10-dione Openeye Name: 1-[[3-hydroxy-2-(hydroxymethyl)-3-(4-nitrophenyl)propyl]amino]anthracene-9,10-dione CAS Name: 1-[[3-hydroxy-2-(hydroxymethyl)-3-(4-nitrophenyl)propyl]amino]anthracene-9,10-dione IUPAC Name: 1-[[3-hydroxy-2-(hydroxymethyl)-3-(4-nitrophenyl)propyl]amino]anthracene-9,10-dione Traditional Name: 1-[[3-hydroxy-2-methylol-3-(4-nitrophenyl)propyl]amino]-9,10-anthraquinone Formula: C24H20N2O6 MolecularWeight: 432.4254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NCC(CO)C(C4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NCC(CO)C(C4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C24H20N2O6/c27-13-15(22(28)14-8-10-16(11-9-14)26(31)32)12-25-20-7-3-6-19-21(20)24(30)18-5-2-1-4-17(18)23(19)29/h1-11,15,22,25,27-28H,12-13H2