[4-(4-bromophenyl)-4-oxidanylidene-butyl] 5-chloranyl-2-nitro-benzoate

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] 5-chloranyl-2-nitro-benzoate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C17H13BrClNO5 MolecularWeight: 426.64582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCCOC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCCOC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C17H13BrClNO5/c18-12-5-3-11(4-6-12)16(21)2-1-9-25-17(22)14-10-13(19)7-8-15(14)20(23)24/h3-8,10H,1-2,9H2