(4-bromophenyl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: (4-bromophenyl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: (4-bromophenyl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (4-bromobenzyl) 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)Br)[N+](=O)[O-])OC

Isomeric SMILES

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

InChI

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