4-bromanyl-2-[(E)-2-nitroprop-1-enyl]benzoic acid

Systemtic Name: 4-bromanyl-2-[(E)-2-nitroprop-1-enyl]benzoic acid Openeye Name: 4-bromo-2-[(E)-2-nitroprop-1-enyl]benzoic acid CAS Name: 4-bromo-2-[(E)-2-nitroprop-1-enyl]benzoic acid IUPAC Name: 4-bromo-2-[(E)-2-nitroprop-1-enyl]benzoic acid Traditional Name: 4-bromo-2-[(E)-2-nitroprop-1-enyl]benzoic acid Formula: C10H8BrNO4 MolecularWeight: 286.07882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C=CC(=C1)Br)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C/C(=C\C1=C(C=CC(=C1)Br)C(=O)O)/[N+](=O)[O-]

InChI

InChI=1S/C10H8BrNO4/c1-6(12(15)16)4-7-5-8(11)2-3-9(7)10(13)14/h2-5H,1H3,(H,13,14)/b6-4+