6-nitro-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: 6-nitro-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(5-benzylthiazol-2-yl)-6-nitro-1,3-benzodioxole-5-carboxamide CAS Name: 6-nitro-N-[5-(phenylmethyl)-2-thiazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(5-benzyl-1,3-thiazol-2-yl)-6-nitro-1,3-benzodioxole-5-carboxamide Traditional Name: N-(5-benzylthiazol-2-yl)-6-nitro-piperonylamide Formula: C18H13N3O5S MolecularWeight: 383.37792

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C(=O)NC3=NC=C(S3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C(=O)NC3=NC=C(S3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O5S/c22-17(13-7-15-16(26-10-25-15)8-14(13)21(23)24)20-18-19-9-12(27-18)6-11-4-2-1-3-5-11/h1-5,7-9H,6,10H2,(H,19,20,22)