(5-bromanyl-2-methoxy-phenyl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid (5-bromo-2-methoxy-benzyl) ester Formula: C18H18BrNO7 MolecularWeight: 440.24202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO7/c1-4-26-17-9-14(20(22)23)13(8-16(17)25-3)18(21)27-10-11-7-12(19)5-6-15(11)24-2/h5-9H,4,10H2,1-3H3