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

Systemtic Name: 5-azanyl-3-(hydroxymethyl)-1-methyl-2-[(E)-3-oxidanylprop-1-enyl]indole-4,7-dione Openeye Name: 5-amino-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methyl-indole-4,7-dione CAS Name: 5-amino-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-dione IUPAC Name: 5-amino-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-dione Traditional Name: 5-amino-2-[(E)-3-hydroxyprop-1-enyl]-1-methyl-3-methylol-indole-4,7-quinone Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4/c1-15-9(3-2-4-16)7(6-17)11-12(15)10(18)5-8(14)13(11)19/h2-3,5,16-17H,4,6,14H2,1H3/b3-2+