7-chloranyl-1-ethyl-6-nitro-4-oxidanylidene-cinnoline-3-carboxylic acid

Systemtic Name: 7-chloranyl-1-ethyl-6-nitro-4-oxidanylidene-cinnoline-3-carboxylic acid Openeye Name: 7-chloro-1-ethyl-6-nitro-4-oxo-cinnoline-3-carboxylic acid CAS Name: 7-chloro-1-ethyl-6-nitro-4-oxo-3-cinnolinecarboxylic acid IUPAC Name: 7-chloro-1-ethyl-6-nitro-4-oxocinnoline-3-carboxylic acid Traditional Name: 7-chloro-1-ethyl-4-keto-6-nitro-cinnoline-3-carboxylic acid Formula: C11H8ClN3O5 MolecularWeight: 297.65132

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2C(=O)C(=N1)C(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

CCN1C2=CC(=C(C=C2C(=O)C(=N1)C(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C11H8ClN3O5/c1-2-14-7-4-6(12)8(15(19)20)3-5(7)10(16)9(13-14)11(17)18/h3-4H,2H2,1H3,(H,17,18)