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

Systemtic Name: 2-[[7-(2-chlorophenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl ethanoate Openeye Name: 2-[[7-(2-chlorophenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl acetate CAS Name: acetic acid 2-[[7-[(2-chlorophenyl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl ester IUPAC Name: 2-[[7-(2-chlorophenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl acetate Traditional Name: acetic acid 2-[[7-[(2-chlorophenyl)thio]-4-nitro-benzofurazan-5-yl]amino]ethyl ester Formula: C16H13ClN4O5S MolecularWeight: 408.81622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCNC1=C(C2=NON=C2C(=C1)SC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCNC1=C(C2=NON=C2C(=C1)SC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN4O5S/c1-9(22)25-7-6-18-11-8-13(27-12-5-3-2-4-10(12)17)14-15(20-26-19-14)16(11)21(23)24/h2-5,8,18H,6-7H2,1H3