N-(1,3-benzothiazol-2-yl)-N-methyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-methyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-methyl-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-methyl-2-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-methyl-propionamide Formula: C19H14N4O5S MolecularWeight: 410.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=NC2=CC=CC=C2S1)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N(C)C1=NC2=CC=CC=C2S1)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H14N4O5S/c1-10(16(24)21(2)19-20-12-7-3-4-9-14(12)29-19)22-17(25)11-6-5-8-13(23(27)28)15(11)18(22)26/h3-10H,1-2H3