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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-phthalimido-propionamide Formula: C18H12N4O5S MolecularWeight: 396.37668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H12N4O5S/c1-9(21-16(24)11-4-2-3-5-12(11)17(21)25)15(23)20-18-19-13-7-6-10(22(26)27)8-14(13)28-18/h2-9H,1H3,(H,19,20,23)