3-(hydroxymethyl)-1-methyl-5-(2-methylaziridin-1-yl)-2-[(E)-3-oxidanylprop-1-enyl]indole-4,7-dione

Systemtic Name: 3-(hydroxymethyl)-1-methyl-5-(2-methylaziridin-1-yl)-2-[(E)-3-oxidanylprop-1-enyl]indole-4,7-dione Openeye Name: 3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methyl-5-(2-methylaziridin-1-yl)indole-4,7-dione CAS Name: 3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methyl-5-(2-methyl-1-aziridinyl)indole-4,7-dione IUPAC Name: 3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methyl-5-(2-methylaziridin-1-yl)indole-4,7-dione Traditional Name: 2-[(E)-3-hydroxyprop-1-enyl]-1-methyl-5-(2-methylethylenimin-1-yl)-3-methylol-indole-4,7-quinone Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN1C2=CC(=O)C3=C(C2=O)C(=C(N3C)C=CCO)CO

Isomeric SMILES

CC1CN1C2=CC(=O)C3=C(C2=O)C(=C(N3C)/C=C/CO)CO

InChI

InChI=1S/C16H18N2O4/c1-9-7-18(9)12-6-13(21)15-14(16(12)22)10(8-20)11(17(15)2)4-3-5-19/h3-4,6,9,19-20H,5,7-8H2,1-2H3/b4-3+