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

Systemtic Name: (2-nitrophenyl)methyl 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: (2-nitrophenyl)methyl 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid (2-nitrobenzyl) ester Formula: C17H16BrNO6 MolecularWeight: 410.21604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-])Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-])Br)OC

InChI

InChI=1S/C17H16BrNO6/c1-3-24-15-9-12(8-13(18)16(15)23-2)17(20)25-10-11-6-4-5-7-14(11)19(21)22/h4-9H,3,10H2,1-2H3