6-nitro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: 6-nitro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(4-isopropylthiazol-2-yl)-6-nitro-1,3-benzodioxole-5-carboxamide CAS Name: 6-nitro-N-(4-propan-2-yl-2-thiazolyl)-1,3-benzodioxole-5-carboxamide IUPAC Name: 6-nitro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(4-isopropylthiazol-2-yl)-6-nitro-piperonylamide Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CSC(=N1)NC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC(C)C1=CSC(=N1)NC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C14H13N3O5S/c1-7(2)9-5-23-14(15-9)16-13(18)8-3-11-12(22-6-21-11)4-10(8)17(19)20/h3-5,7H,6H2,1-2H3,(H,15,16,18)