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

Systemtic Name: 5-(aziridin-1-yl)-2,3-bis(hydroxymethyl)-6-methyl-1H-indole-4,7-dione Openeye Name: 5-(aziridin-1-yl)-2,3-bis(hydroxymethyl)-6-methyl-1H-indole-4,7-dione CAS Name: 5-(1-aziridinyl)-2,3-bis(hydroxymethyl)-6-methyl-1H-indole-4,7-dione IUPAC Name: 5-(aziridin-1-yl)-2,3-bis(hydroxymethyl)-6-methyl-1H-indole-4,7-dione Traditional Name: 5-ethylenimino-6-methyl-2,3-dimethylol-1H-indole-4,7-quinone Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4/c1-6-11(15-2-3-15)13(19)9-7(4-16)8(5-17)14-10(9)12(6)18/h14,16-17H,2-5H2,1H3