[3-(4-bromophenyl)-4-oxidanylidene-chromen-7-yl] 4-nitrobenzoate

Systemtic Name: [3-(4-bromophenyl)-4-oxidanylidene-chromen-7-yl] 4-nitrobenzoate Openeye Name: [3-(4-bromophenyl)-4-oxo-chromen-7-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-(4-bromophenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-bromophenyl)-4-oxochromen-7-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-(4-bromophenyl)-4-keto-chromen-7-yl] ester Formula: C22H12BrNO6 MolecularWeight: 466.23778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C22H12BrNO6/c23-15-5-1-13(2-6-15)19-12-29-20-11-17(9-10-18(20)21(19)25)30-22(26)14-3-7-16(8-4-14)24(27)28/h1-12H