5-chloranyl-5-nitro-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 5-chloranyl-5-nitro-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 5-chloro-5-nitro-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 5-chloro-5-nitro-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 5-chloro-5-nitrocyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 5-chloro-5-nitro-cyclohexa-1,3-diene-1-carboxylic acid Formula: C7H6ClNO4 MolecularWeight: 203.57984

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC=CC1([N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1C(=CC=CC1([N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C7H6ClNO4/c8-7(9(12)13)3-1-2-5(4-7)6(10)11/h1-3H,4H2,(H,10,11)