2-[[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[[2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[[2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]methyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[[2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl]-5-nitro-isoindoline-1,3-quinone Formula: C21H17N3O6S MolecularWeight: 439.44118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H17N3O6S/c1-3-30-17-7-4-12(8-18(17)29-2)19-22-13(11-31-19)10-23-20(25)15-6-5-14(24(27)28)9-16(15)21(23)26/h4-9,11H,3,10H2,1-2H3