5-(aziridin-1-yl)-2,3-bis(hydroxymethyl)-1,6-dimethyl-indole-4,7-dione

Systemtic Name: 5-(aziridin-1-yl)-2,3-bis(hydroxymethyl)-1,6-dimethyl-indole-4,7-dione Openeye Name: 5-(aziridin-1-yl)-2,3-bis(hydroxymethyl)-1,6-dimethyl-indole-4,7-dione CAS Name: 5-(1-aziridinyl)-2,3-bis(hydroxymethyl)-1,6-dimethylindole-4,7-dione IUPAC Name: 5-(aziridin-1-yl)-2,3-bis(hydroxymethyl)-1,6-dimethylindole-4,7-dione Traditional Name: 5-ethylenimino-1,6-dimethyl-2,3-dimethylol-indole-4,7-quinone Formula: C14H16N2O4 MolecularWeight: 276.28784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C1=O)N(C(=C2CO)CO)C)N3CC3

Isomeric SMILES

CC1=C(C(=O)C2=C(C1=O)N(C(=C2CO)CO)C)N3CC3

InChI

InChI=1S/C14H16N2O4/c1-7-11(16-3-4-16)14(20)10-8(5-17)9(6-18)15(2)12(10)13(7)19/h17-18H,3-6H2,1-2H3