[2-bromanyl-6-methoxy-4-(2-nitroethenyl)phenyl] 4-phenylbenzoate

Systemtic Name: [2-bromanyl-6-methoxy-4-(2-nitroethenyl)phenyl] 4-phenylbenzoate Openeye Name: [2-bromo-6-methoxy-4-(2-nitrovinyl)phenyl] 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [2-bromo-6-methoxy-4-(2-nitroethenyl)phenyl] ester IUPAC Name: [2-bromo-6-methoxy-4-(2-nitroethenyl)phenyl] 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [2-bromo-6-methoxy-4-(2-nitrovinyl)phenyl] ester Formula: C22H16BrNO5 MolecularWeight: 454.27014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C[N+](=O)[O-])Br)OC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C[N+](=O)[O-])Br)OC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H16BrNO5/c1-28-20-14-15(11-12-24(26)27)13-19(23)21(20)29-22(25)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-14H,1H3