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

Systemtic Name: 5-(aziridin-1-yl)-2,3-bis(hydroxymethyl)-1-methyl-indole-4,7-dione Openeye Name: 5-(aziridin-1-yl)-2,3-bis(hydroxymethyl)-1-methyl-indole-4,7-dione CAS Name: 5-(1-aziridinyl)-2,3-bis(hydroxymethyl)-1-methylindole-4,7-dione IUPAC Name: 5-(aziridin-1-yl)-2,3-bis(hydroxymethyl)-1-methylindole-4,7-dione Traditional Name: 5-ethylenimino-1-methyl-2,3-dimethylol-indole-4,7-quinone Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C1C(=O)C=C(C2=O)N3CC3)CO)CO

Isomeric SMILES

CN1C(=C(C2=C1C(=O)C=C(C2=O)N3CC3)CO)CO

InChI

InChI=1S/C13H14N2O4/c1-14-9(6-17)7(5-16)11-12(14)10(18)4-8(13(11)19)15-2-3-15/h4,16-17H,2-3,5-6H2,1H3