4-[bis(azanyl)methylidene]cyclohexa-2,5-dien-1-one dihydrate

Systemtic Name: 4-[bis(azanyl)methylidene]cyclohexa-2,5-dien-1-one dihydrate Openeye Name: 4-(diaminomethylene)cyclohexa-2,5-dien-1-one dihydrate CAS Name: 4-(diaminomethylidene)-1-cyclohexa-2,5-dienone dihydrate IUPAC Name: 4-(diaminomethylidene)cyclohexa-2,5-dien-1-one dihydrate Traditional Name: 4-(diaminomethylene)cyclohexa-2,5-dien-1-one dihydrate Formula: C7H12N2O3 MolecularWeight: 172.18178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8N2O.2H2O/c8-7(9)5-1-3-6(10)4-2-5;;/h1-4H,8-9H2;2*1H2