3-(7-azanylideneazepin-2-yl)propane-1,2-diol

Systemtic Name: 3-(7-azanylideneazepin-2-yl)propane-1,2-diol Openeye Name: 3-(7-iminoazepin-2-yl)propane-1,2-diol CAS Name: 3-(7-imino-2-azepinyl)propane-1,2-diol IUPAC Name: 3-(7-iminoazepin-2-yl)propane-1,2-diol Traditional Name: 3-(7-iminoazepin-2-yl)propane-1,2-diol Formula: C9H12N2O2 MolecularWeight: 180.20378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=N)C=C1)CC(CO)O

Isomeric SMILES

C1=CC(=NC(=N)C=C1)CC(CO)O

InChI

InChI=1S/C9H12N2O2/c10-9-4-2-1-3-7(11-9)5-8(13)6-12/h1-4,8,10,12-13H,5-6H2