(3-nitrophenyl)methyl 2-acetamido-5-bromanyl-benzoate

Systemtic Name: (3-nitrophenyl)methyl 2-acetamido-5-bromanyl-benzoate Openeye Name: (3-nitrophenyl)methyl 2-acetamido-5-bromo-benzoate CAS Name: 2-acetamido-5-bromobenzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 2-acetamido-5-bromobenzoate Traditional Name: 2-acetamido-5-bromo-benzoic acid (3-nitrobenzyl) ester Formula: C16H13BrN2O5 MolecularWeight: 393.18882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)Br)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)Br)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H13BrN2O5/c1-10(20)18-15-6-5-12(17)8-14(15)16(21)24-9-11-3-2-4-13(7-11)19(22)23/h2-8H,9H2,1H3,(H,18,20)