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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H14N4O5S/c1-10-4-2-7-13-16(10)21-19(29-13)20-14(24)8-9-22-17(25)11-5-3-6-12(23(27)28)15(11)18(22)26/h2-7H,8-9H2,1H3,(H,20,21,24)