N-benzo[e][1,3]benzothiazol-2-yl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetamide Formula: C21H12N4O5S MolecularWeight: 432.40878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)CN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H12N4O5S/c26-16(10-24-19(27)13-6-3-7-14(25(29)30)17(13)20(24)28)22-21-23-18-12-5-2-1-4-11(12)8-9-15(18)31-21/h1-9H,10H2,(H,22,23,26)