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

Systemtic Name: 5-(aziridin-1-yl)-3-(hydroxymethyl)-1-methyl-indole-4,7-dione Openeye Name: 5-(aziridin-1-yl)-3-(hydroxymethyl)-1-methyl-indole-4,7-dione CAS Name: 5-(1-aziridinyl)-3-(hydroxymethyl)-1-methylindole-4,7-dione IUPAC Name: 5-(aziridin-1-yl)-3-(hydroxymethyl)-1-methylindole-4,7-dione Traditional Name: 5-ethylenimino-1-methyl-3-methylol-indole-4,7-quinone Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3/c1-13-5-7(6-15)10-11(13)9(16)4-8(12(10)17)14-2-3-14/h4-5,15H,2-3,6H2,1H3