[4-(4-bromophenyl)-4-oxidanylidene-butyl] 3-nitrobenzoate

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] 3-nitrobenzoate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C17H14BrNO5 MolecularWeight: 392.20076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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