3,6-bis(azanyl)benzene-1,2-dicarboxamide hydrate

Systemtic Name: 3,6-bis(azanyl)benzene-1,2-dicarboxamide hydrate Openeye Name: 3,6-diaminophthalamide hydrate CAS Name: 3,6-diaminobenzene-1,2-dicarboxamide hydrate IUPAC Name: 3,6-diaminobenzene-1,2-dicarboxamide hydrate Traditional Name: 3,6-diaminophthalamide hydrate Formula: C8H12N4O3 MolecularWeight: 212.20588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1N)C(=O)N)C(=O)N)N.O

Isomeric SMILES

C1=CC(=C(C(=C1N)C(=O)N)C(=O)N)N.O

InChI

InChI=1S/C8H10N4O2.H2O/c9-3-1-2-4(10)6(8(12)14)5(3)7(11)13;/h1-2H,9-10H2,(H2,11,13)(H2,12,14);1H2