2-(3-bromanylphenoxy)ethyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 4-(methylamino)-3-nitro-benzoate Openeye Name: 2-(3-bromophenoxy)ethyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid 2-(3-bromophenoxy)ethyl ester Formula: C16H15BrN2O5 MolecularWeight: 395.2047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCCOC2=CC(=CC=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCCOC2=CC(=CC=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H15BrN2O5/c1-18-14-6-5-11(9-15(14)19(21)22)16(20)24-8-7-23-13-4-2-3-12(17)10-13/h2-6,9-10,18H,7-8H2,1H3