(4-acetamidophenyl) 2-acetamido-7-nitrooxy-4-oxidanylidene-3-sulfanyl-heptanoate

Systemtic Name: (4-acetamidophenyl) 2-acetamido-7-nitrooxy-4-oxidanylidene-3-sulfanyl-heptanoate Openeye Name: (4-acetamidophenyl) 2-acetamido-7-nitrooxy-4-oxo-3-sulfanyl-heptanoate CAS Name: 2-acetamido-3-mercapto-7-nitrooxy-4-oxoheptanoic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 2-acetamido-7-nitrooxy-4-oxo-3-sulfanylheptanoate Traditional Name: 2-acetamido-4-keto-3-mercapto-7-nitrooxy-enanthic acid (4-acetamidophenyl) ester Formula: C17H21N3O8S MolecularWeight: 427.42894

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C(C(C(=O)CCCO[N+](=O)[O-])S)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C(C(C(=O)CCCO[N+](=O)[O-])S)NC(=O)C

InChI

InChI=1S/C17H21N3O8S/c1-10(21)18-12-5-7-13(8-6-12)28-17(24)15(19-11(2)22)16(29)14(23)4-3-9-27-20(25)26/h5-8,15-16,29H,3-4,9H2,1-2H3,(H,18,21)(H,19,22)