[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl 2-bromanyl-5-nitro-benzoate

Systemtic Name: [5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl 2-bromanyl-5-nitro-benzoate Openeye Name: [5-(4-ethoxycarbonylphenyl)-2-furyl]methyl 2-bromo-5-nitro-benzoate CAS Name: 2-bromo-5-nitrobenzoic acid [5-(4-ethoxycarbonylphenyl)-2-furanyl]methyl ester IUPAC Name: [5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl 2-bromo-5-nitrobenzoate Traditional Name: 2-bromo-5-nitro-benzoic acid [5-(4-carbethoxyphenyl)-2-furyl]methyl ester Formula: C21H16BrNO7 MolecularWeight: 474.25824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C21H16BrNO7/c1-2-28-20(24)14-5-3-13(4-6-14)19-10-8-16(30-19)12-29-21(25)17-11-15(23(26)27)7-9-18(17)22/h3-11H,2,12H2,1H3