N-(6-nitro-1,3-benzothiazol-2-yl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: 2-(1,3-diketo-5-nitro-isoindolin-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C17H9N5O7S MolecularWeight: 427.34766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H9N5O7S/c23-14(19-17-18-12-4-2-9(22(28)29)6-13(12)30-17)7-20-15(24)10-3-1-8(21(26)27)5-11(10)16(20)25/h1-6H,7H2,(H,18,19,23)