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

Systemtic Name: [2-bromanyl-6-methoxy-4-[(E)-2-nitroethenyl]phenyl] 2-phenethylbenzoate Openeye Name: [2-bromo-6-methoxy-4-[(E)-2-nitrovinyl]phenyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [2-bromo-6-methoxy-4-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [2-bromo-6-methoxy-4-[(E)-2-nitroethenyl]phenyl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [2-bromo-6-methoxy-4-[(E)-2-nitrovinyl]phenyl] ester Formula: C24H20BrNO5 MolecularWeight: 482.3233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C[N+](=O)[O-])Br)OC(=O)C2=CC=CC=C2CCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/[N+](=O)[O-])Br)OC(=O)C2=CC=CC=C2CCC3=CC=CC=C3

InChI

InChI=1S/C24H20BrNO5/c1-30-22-16-18(13-14-26(28)29)15-21(25)23(22)31-24(27)20-10-6-5-9-19(20)12-11-17-7-3-2-4-8-17/h2-10,13-16H,11-12H2,1H3/b14-13+