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

Systemtic Name: 5-nitro-2-[[2-(phenylmethyl)-1,3-thiazol-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[(2-benzylthiazol-4-yl)methyl]-5-nitro-isoindoline-1,3-dione CAS Name: 5-nitro-2-[[2-(phenylmethyl)-4-thiazolyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[(2-benzylthiazol-4-yl)methyl]-5-nitro-isoindoline-1,3-quinone Formula: C19H13N3O4S MolecularWeight: 379.38922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=CS2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=CS2)CN3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O4S/c23-18-15-7-6-14(22(25)26)9-16(15)19(24)21(18)10-13-11-27-17(20-13)8-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2