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

Systemtic Name: 5-(2-hydroxyethylamino)-3-(hydroxymethyl)-1-methyl-2-[(E)-3-oxidanylprop-1-enyl]indole-4,7-dione Openeye Name: 5-(2-hydroxyethylamino)-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methyl-indole-4,7-dione CAS Name: 5-(2-hydroxyethylamino)-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-dione IUPAC Name: 5-(2-hydroxyethylamino)-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-dione Traditional Name: 5-(2-hydroxyethylamino)-2-[(E)-3-hydroxyprop-1-enyl]-1-methyl-3-methylol-indole-4,7-quinone Formula: C15H18N2O5 MolecularWeight: 306.31382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C1C(=O)C=C(C2=O)NCCO)CO)C=CCO

Isomeric SMILES

CN1C(=C(C2=C1C(=O)C=C(C2=O)NCCO)CO)/C=C/CO

InChI

InChI=1S/C15H18N2O5/c1-17-11(3-2-5-18)9(8-20)13-14(17)12(21)7-10(15(13)22)16-4-6-19/h2-3,7,16,18-20H,4-6,8H2,1H3/b3-2+