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

Systemtic Name: 5-(aziridin-1-yl)-2,3-bis(hydroxymethyl)-1H-indole-4,7-dione Openeye Name: 5-(aziridin-1-yl)-2,3-bis(hydroxymethyl)-1H-indole-4,7-dione CAS Name: 5-(1-aziridinyl)-2,3-bis(hydroxymethyl)-1H-indole-4,7-dione IUPAC Name: 5-(aziridin-1-yl)-2,3-bis(hydroxymethyl)-1H-indole-4,7-dione Traditional Name: 5-ethylenimino-2,3-dimethylol-1H-indole-4,7-quinone Formula: C12H12N2O4 MolecularWeight: 248.23468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=CC(=O)C3=C(C2=O)C(=C(N3)CO)CO

Isomeric SMILES

C1CN1C2=CC(=O)C3=C(C2=O)C(=C(N3)CO)CO

InChI

InChI=1S/C12H12N2O4/c15-4-6-7(5-16)13-11-9(17)3-8(14-1-2-14)12(18)10(6)11/h3,13,15-16H,1-2,4-5H2