(4-nitrophenyl)methyl 4-(4-bromophenyl)-4-oxidanylidene-butanoate

Systemtic Name: (4-nitrophenyl)methyl 4-(4-bromophenyl)-4-oxidanylidene-butanoate Openeye Name: (4-nitrophenyl)methyl 4-(4-bromophenyl)-4-oxo-butanoate CAS Name: 4-(4-bromophenyl)-4-oxobutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-(4-bromophenyl)-4-oxobutanoate Traditional Name: 4-(4-bromophenyl)-4-keto-butyric acid (4-nitrobenzyl) ester Formula: C17H14BrNO5 MolecularWeight: 392.20076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CCC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CCC(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H14BrNO5/c18-14-5-3-13(4-6-14)16(20)9-10-17(21)24-11-12-1-7-15(8-2-12)19(22)23/h1-8H,9-11H2