2-[[7-(4-bromophenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl ethanoate

Systemtic Name: 2-[[7-(4-bromophenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl ethanoate Openeye Name: 2-[[7-(4-bromophenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl acetate CAS Name: acetic acid 2-[[7-[(4-bromophenyl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl ester IUPAC Name: 2-[[7-(4-bromophenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl acetate Traditional Name: acetic acid 2-[[7-[(4-bromophenyl)thio]-4-nitro-benzofurazan-5-yl]amino]ethyl ester Formula: C16H13BrN4O5S MolecularWeight: 453.26722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCNC1=C(C2=NON=C2C(=C1)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCNC1=C(C2=NON=C2C(=C1)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H13BrN4O5S/c1-9(22)25-7-6-18-12-8-13(27-11-4-2-10(17)3-5-11)14-15(20-26-19-14)16(12)21(23)24/h2-5,8,18H,6-7H2,1H3