propyl 4-bromanyl-3-nitro-5-propyl-benzoate

Systemtic Name: propyl 4-bromanyl-3-nitro-5-propyl-benzoate Openeye Name: propyl 4-bromo-3-nitro-5-propyl-benzoate CAS Name: 4-bromo-3-nitro-5-propylbenzoic acid propyl ester IUPAC Name: propyl 4-bromo-3-nitro-5-propylbenzoate Traditional Name: 4-bromo-3-nitro-5-propyl-benzoic acid propyl ester Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)C(=O)OCCC)[N+](=O)[O-])Br

Isomeric SMILES

CCCC1=C(C(=CC(=C1)C(=O)OCCC)[N+](=O)[O-])Br

InChI

InChI=1S/C13H16BrNO4/c1-3-5-9-7-10(13(16)19-6-4-2)8-11(12(9)14)15(17)18/h7-8H,3-6H2,1-2H3