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

Systemtic Name: 4-bromanyl-5-nitro-5-propyl-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 4-bromo-5-nitro-5-propyl-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 4-bromo-5-nitro-5-propyl-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 4-bromo-5-nitro-5-propylcyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 4-bromo-5-nitro-5-propyl-cyclohexa-1,3-diene-1-carboxylic acid Formula: C10H12BrNO4 MolecularWeight: 290.11058

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(=CC=C1Br)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCC1(CC(=CC=C1Br)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H12BrNO4/c1-2-5-10(12(15)16)6-7(9(13)14)3-4-8(10)11/h3-4H,2,5-6H2,1H3,(H,13,14)