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

Systemtic Name: 5-(aziridin-1-yl)-3-(hydroxymethyl)-1-methyl-2-(3-oxidanylpropyl)indole-4,7-dione Openeye Name: 5-(aziridin-1-yl)-3-(hydroxymethyl)-2-(3-hydroxypropyl)-1-methyl-indole-4,7-dione CAS Name: 5-(1-aziridinyl)-3-(hydroxymethyl)-2-(3-hydroxypropyl)-1-methylindole-4,7-dione IUPAC Name: 5-(aziridin-1-yl)-3-(hydroxymethyl)-2-(3-hydroxypropyl)-1-methylindole-4,7-dione Traditional Name: 5-ethylenimino-2-(3-hydroxypropyl)-1-methyl-3-methylol-indole-4,7-quinone Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4/c1-16-10(3-2-6-18)9(8-19)13-14(16)12(20)7-11(15(13)21)17-4-5-17/h7,18-19H,2-6,8H2,1H3