N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(6-methoxy-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-(6-methoxy-1,3-benzothiazol-2-yl)propionamide Formula: C19H14N4O6S MolecularWeight: 426.40266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H14N4O6S/c1-29-10-5-6-12-14(9-10)30-19(20-12)21-15(24)7-8-22-17(25)11-3-2-4-13(23(27)28)16(11)18(22)26/h2-6,9H,7-8H2,1H3,(H,20,21,24)