(E)-4-(1H-indol-3-yl)but-3-en-2-one; molecular hydrogen

Systemtic Name: (E)-4-(1H-indol-3-yl)but-3-en-2-one; molecular hydrogen Openeye Name: (E)-4-(1H-indol-3-yl)but-3-en-2-one; molecular hydrogen CAS Name: (E)-4-(1H-indol-3-yl)-3-buten-2-one; molecular hydrogen IUPAC Name: (E)-4-(1H-indol-3-yl)but-3-en-2-one; molecular hydrogen Traditional Name: (E)-4-(1H-indol-3-yl)but-3-en-2-one; molecular hydrogen Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

[HH].CC(=O)C=CC1=CNC2=CC=CC=C21

Isomeric SMILES

[HH].CC(=O)/C=C/C1=CNC2=CC=CC=C21

InChI

InChI=1S/C12H11NO.H2/c1-9(14)6-7-10-8-13-12-5-3-2-4-11(10)12;/h2-8,13H,1H3;1H/b7-6+;