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

Systemtic Name: 7-chloranyl-1-ethyl-6-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-chloro-1-ethyl-6-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-chloro-1-ethyl-6-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-chloro-1-ethyl-6-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-chloro-1-ethyl-4-keto-6-nitro-quinoline-3-carboxylic acid Formula: C12H9ClN2O5 MolecularWeight: 296.66326

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H9ClN2O5/c1-2-14-5-7(12(17)18)11(16)6-3-10(15(19)20)8(13)4-9(6)14/h3-5H,2H2,1H3,(H,17,18)