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

Systemtic Name: 3-[[7-(4-chlorophenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propyl ethanoate Openeye Name: 3-[[7-(4-chlorophenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propyl acetate CAS Name: acetic acid 3-[[7-[(4-chlorophenyl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propyl ester IUPAC Name: 3-[[7-(4-chlorophenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propyl acetate Traditional Name: acetic acid 3-[[7-[(4-chlorophenyl)thio]-4-nitro-benzofurazan-5-yl]amino]propyl ester Formula: C17H15ClN4O5S MolecularWeight: 422.8428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCNC1=C(C2=NON=C2C(=C1)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCCNC1=C(C2=NON=C2C(=C1)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN4O5S/c1-10(23)26-8-2-7-19-13-9-14(28-12-5-3-11(18)4-6-12)15-16(21-27-20-15)17(13)22(24)25/h3-6,9,19H,2,7-8H2,1H3