4-bromanyl-5-ethyl-5-nitro-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 4-bromanyl-5-ethyl-5-nitro-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 4-bromo-5-ethyl-5-nitro-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 4-bromo-5-ethyl-5-nitro-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 4-bromo-5-ethyl-5-nitrocyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 4-bromo-5-ethyl-5-nitro-cyclohexa-1,3-diene-1-carboxylic acid Formula: C9H10BrNO4 MolecularWeight: 276.084

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=CC=C1Br)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCC1(CC(=CC=C1Br)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H10BrNO4/c1-2-9(11(14)15)5-6(8(12)13)3-4-7(9)10/h3-4H,2,5H2,1H3,(H,12,13)