(3-nitrophenyl) 5-bromanyl-2-propoxy-benzoate

Systemtic Name: (3-nitrophenyl) 5-bromanyl-2-propoxy-benzoate Openeye Name: (3-nitrophenyl) 5-bromo-2-propoxy-benzoate CAS Name: 5-bromo-2-propoxybenzoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 5-bromo-2-propoxybenzoate Traditional Name: 5-bromo-2-propoxy-benzoic acid (3-nitrophenyl) ester Formula: C16H14BrNO5 MolecularWeight: 380.19006

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14BrNO5/c1-2-8-22-15-7-6-11(17)9-14(15)16(19)23-13-5-3-4-12(10-13)18(20)21/h3-7,9-10H,2,8H2,1H3