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

Systemtic Name: 3-[[4-nitro-7-(4-nitrophenyl)sulfanyl-2,1,3-benzoxadiazol-5-yl]amino]propyl ethanoate Openeye Name: 3-[[4-nitro-7-(4-nitrophenyl)sulfanyl-2,1,3-benzoxadiazol-5-yl]amino]propyl acetate CAS Name: acetic acid 3-[[4-nitro-7-[(4-nitrophenyl)thio]-2,1,3-benzoxadiazol-5-yl]amino]propyl ester IUPAC Name: 3-[[4-nitro-7-(4-nitrophenyl)sulfanyl-2,1,3-benzoxadiazol-5-yl]amino]propyl acetate Traditional Name: acetic acid 3-[[4-nitro-7-[(4-nitrophenyl)thio]benzofurazan-5-yl]amino]propyl ester Formula: C17H15N5O7S MolecularWeight: 433.3953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O7S/c1-10(23)28-8-2-7-18-13-9-14(15-16(20-29-19-15)17(13)22(26)27)30-12-5-3-11(4-6-12)21(24)25/h3-6,9,18H,2,7-8H2,1H3