5-(aziridin-1-ylmethyl)-3-(hydroxymethyl)-1,2-dimethyl-indole-4,7-dione

Systemtic Name: 5-(aziridin-1-ylmethyl)-3-(hydroxymethyl)-1,2-dimethyl-indole-4,7-dione Openeye Name: 5-(aziridin-1-ylmethyl)-3-(hydroxymethyl)-1,2-dimethyl-indole-4,7-dione CAS Name: 5-(1-aziridinylmethyl)-3-(hydroxymethyl)-1,2-dimethylindole-4,7-dione IUPAC Name: 5-(aziridin-1-ylmethyl)-3-(hydroxymethyl)-1,2-dimethylindole-4,7-dione Traditional Name: 5-(ethyleniminomethyl)-1,2-dimethyl-3-methylol-indole-4,7-quinone Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C)C(=O)C=C(C2=O)CN3CC3)CO

Isomeric SMILES

CC1=C(C2=C(N1C)C(=O)C=C(C2=O)CN3CC3)CO

InChI

InChI=1S/C14H16N2O3/c1-8-10(7-17)12-13(15(8)2)11(18)5-9(14(12)19)6-16-3-4-16/h5,17H,3-4,6-7H2,1-2H3