3-(hydroxymethyl)-1-methyl-5-(2-methylaziridin-1-yl)indole-4,7-dione

Systemtic Name: 3-(hydroxymethyl)-1-methyl-5-(2-methylaziridin-1-yl)indole-4,7-dione Openeye Name: 3-(hydroxymethyl)-1-methyl-5-(2-methylaziridin-1-yl)indole-4,7-dione CAS Name: 3-(hydroxymethyl)-1-methyl-5-(2-methyl-1-aziridinyl)indole-4,7-dione IUPAC Name: 3-(hydroxymethyl)-1-methyl-5-(2-methylaziridin-1-yl)indole-4,7-dione Traditional Name: 1-methyl-5-(2-methylethylenimin-1-yl)-3-methylol-indole-4,7-quinone Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN1C2=CC(=O)C3=C(C2=O)C(=CN3C)CO

Isomeric SMILES

CC1CN1C2=CC(=O)C3=C(C2=O)C(=CN3C)CO

InChI

InChI=1S/C13H14N2O3/c1-7-4-15(7)9-3-10(17)12-11(13(9)18)8(6-16)5-14(12)2/h3,5,7,16H,4,6H2,1-2H3