3-azanyl-4-azanylidene-cyclohexa-2,5-dien-1-one hydrate

Systemtic Name: 3-azanyl-4-azanylidene-cyclohexa-2,5-dien-1-one hydrate Openeye Name: 3-amino-4-imino-cyclohexa-2,5-dien-1-one hydrate CAS Name: 3-amino-4-imino-1-cyclohexa-2,5-dienone hydrate IUPAC Name: 3-amino-4-iminocyclohexa-2,5-dien-1-one hydrate Traditional Name: 3-amino-4-imino-cyclohexa-2,5-dien-1-one hydrate Formula: C6H8N2O2 MolecularWeight: 140.13992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6N2O.H2O/c7-5-2-1-4(9)3-6(5)8;/h1-3,7H,8H2;1H2