8-chloranyl-4-oxidanylidene-1H-cinnoline-3-carboxylic acid hydrate

Systemtic Name: 8-chloranyl-4-oxidanylidene-1H-cinnoline-3-carboxylic acid hydrate Openeye Name: 8-chloro-4-oxo-1H-cinnoline-3-carboxylic acid hydrate CAS Name: 8-chloro-4-oxo-1H-cinnoline-3-carboxylic acid hydrate IUPAC Name: 8-chloro-4-oxo-1H-cinnoline-3-carboxylic acid hydrate Traditional Name: 8-chloro-4-keto-1H-cinnoline-3-carboxylic acid hydrate Formula: C9H7ClN2O4 MolecularWeight: 242.61588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Cl)NN=C(C2=O)C(=O)O.O

Isomeric SMILES

C1=CC2=C(C(=C1)Cl)NN=C(C2=O)C(=O)O.O

InChI

InChI=1S/C9H5ClN2O3.H2O/c10-5-3-1-2-4-6(5)11-12-7(8(4)13)9(14)15;/h1-3H,(H,11,13)(H,14,15);1H2