2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-nitrophenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-nitrophenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-(3-nitrophenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-(3-nitrophenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(3-nitrophenyl)-2-phthalimido-1,3-benzothiazole-6-carboxamide Formula: C22H12N4O5S MolecularWeight: 444.41948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NC4=C(S3)C=C(C=C4)C(=O)NC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NC4=C(S3)C=C(C=C4)C(=O)NC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H12N4O5S/c27-19(23-13-4-3-5-14(11-13)26(30)31)12-8-9-17-18(10-12)32-22(24-17)25-20(28)15-6-1-2-7-16(15)21(25)29/h1-11H,(H,23,27)