(4-ethoxycarbonylphenyl)methyl 4-bromanyl-3-nitro-benzoate

Systemtic Name: (4-ethoxycarbonylphenyl)methyl 4-bromanyl-3-nitro-benzoate Openeye Name: (4-ethoxycarbonylphenyl)methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (4-ethoxycarbonylphenyl)methyl ester IUPAC Name: (4-ethoxycarbonylphenyl)methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (4-carbethoxybenzyl) ester Formula: C17H14BrNO6 MolecularWeight: 408.20016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H14BrNO6/c1-2-24-16(20)12-5-3-11(4-6-12)10-25-17(21)13-7-8-14(18)15(9-13)19(22)23/h3-9H,2,10H2,1H3