4-azanylidenecyclohexa-2,5-dien-1-one trihydrate

Systemtic Name: 4-azanylidenecyclohexa-2,5-dien-1-one trihydrate Openeye Name: 4-iminocyclohexa-2,5-dien-1-one trihydrate CAS Name: 4-imino-1-cyclohexa-2,5-dienone trihydrate IUPAC Name: 4-iminocyclohexa-2,5-dien-1-one trihydrate Traditional Name: 4-iminocyclohexa-2,5-dien-1-one trihydrate Formula: C6H11NO4 MolecularWeight: 161.15584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=N.O.O.O

Isomeric SMILES

C1=CC(=O)C=CC1=N.O.O.O

InChI

InChI=1S/C6H5NO.3H2O/c7-5-1-3-6(8)4-2-5;;;/h1-4,7H;3*1H2