(3-bromanyl-4-methoxy-phenyl)methyl 4-ethoxy-3-nitro-benzoate

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl 4-ethoxy-3-nitro-benzoate Openeye Name: (3-bromo-4-methoxy-phenyl)methyl 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid (3-bromo-4-methoxyphenyl)methyl ester IUPAC Name: (3-bromo-4-methoxyphenyl)methyl 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid (3-bromo-4-methoxy-benzyl) ester Formula: C17H16BrNO6 MolecularWeight: 410.21604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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