3-azanyl-5-(hydroxymethyl)-2-(3-methylbut-3-en-1-ynyl)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 3-azanyl-5-(hydroxymethyl)-2-(3-methylbut-3-en-1-ynyl)cyclohexa-2,5-diene-1,4-dione Openeye Name: 3-amino-5-(hydroxymethyl)-2-(3-methylbut-3-en-1-ynyl)-1,4-benzoquinone CAS Name: 3-amino-5-(hydroxymethyl)-2-(3-methylbut-3-en-1-ynyl)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 3-amino-5-(hydroxymethyl)-2-(3-methylbut-3-en-1-ynyl)cyclohexa-2,5-diene-1,4-dione Traditional Name: 3-amino-2-(3-methylbut-3-en-1-ynyl)-5-methylol-p-benzoquinone Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C#CC1=C(C(=O)C(=CC1=O)CO)N

Isomeric SMILES

CC(=C)C#CC1=C(C(=O)C(=CC1=O)CO)N

InChI

InChI=1S/C12H11NO3/c1-7(2)3-4-9-10(15)5-8(6-14)12(16)11(9)13/h5,14H,1,6,13H2,2H3