(3-nitrophenyl) 3-bromanyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: (3-nitrophenyl) 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: (3-nitrophenyl) 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic acid (3-nitrophenyl) ester Formula: C16H14BrNO6 MolecularWeight: 396.18946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H14BrNO6/c1-3-23-15-13(17)7-10(8-14(15)22-2)16(19)24-12-6-4-5-11(9-12)18(20)21/h4-9H,3H2,1-2H3