5-(aziridin-1-yl)-3-(hydroxymethyl)-1,6-dimethyl-2-[(E)-3-oxidanylprop-1-enyl]indole-4,7-dione

Systemtic Name: 5-(aziridin-1-yl)-3-(hydroxymethyl)-1,6-dimethyl-2-[(E)-3-oxidanylprop-1-enyl]indole-4,7-dione Openeye Name: 5-(aziridin-1-yl)-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1,6-dimethyl-indole-4,7-dione CAS Name: 5-(1-aziridinyl)-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1,6-dimethylindole-4,7-dione IUPAC Name: 5-(aziridin-1-yl)-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1,6-dimethylindole-4,7-dione Traditional Name: 5-ethylenimino-2-[(E)-3-hydroxyprop-1-enyl]-1,6-dimethyl-3-methylol-indole-4,7-quinone Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C1=O)N(C(=C2CO)C=CCO)C)N3CC3

Isomeric SMILES

CC1=C(C(=O)C2=C(C1=O)N(C(=C2CO)/C=C/CO)C)N3CC3

InChI

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