(2-acetamido-1,3-thiazol-4-yl)methyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)acetic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-nitro-1,3-dioxoisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C16H12N4O7S MolecularWeight: 404.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O7S/c1-8(21)17-16-18-9(7-28-16)6-27-12(22)5-19-14(23)10-3-2-4-11(20(25)26)13(10)15(19)24/h2-4,7H,5-6H2,1H3,(H,17,18,21)