5H-pyrrolo[2,3-f]benzimidazol-6-one tetrahydrate

Systemtic Name: 5H-pyrrolo[2,3-f]benzimidazol-6-one tetrahydrate Openeye Name: 5H-pyrrolo[2,3-f]benzimidazol-6-one tetrahydrate CAS Name: 5H-pyrrolo[2,3-f]benzimidazol-6-one tetrahydrate IUPAC Name: 5H-pyrrolo[2,3-f]benzimidazol-6-one tetrahydrate Traditional Name: 5H-pyrrolo[2,3-f]benzimidazol-6-one tetrahydrate Formula: C9H13N3O5 MolecularWeight: 243.21662

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C3C(=NC=N3)C=C2NC1=O.O.O.O.O

Isomeric SMILES

C1=C2C=C3C(=NC=N3)C=C2NC1=O.O.O.O.O

InChI

InChI=1S/C9H5N3O.4H2O/c13-9-2-5-1-7-8(11-4-10-7)3-6(5)12-9;;;;/h1-4H,(H,12,13);4*1H2