(2-phenyl-1,3-thiazol-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (2-phenylthiazol-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (2-phenylthiazol-4-yl)methyl ester Formula: C18H12N2O6S MolecularWeight: 384.36268

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N2O6S/c21-18(13-6-15-16(26-10-25-15)7-14(13)20(22)23)24-8-12-9-27-17(19-12)11-4-2-1-3-5-11/h1-7,9H,8,10H2