(E)-N-(1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C17H11N3O5S MolecularWeight: 369.35134

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O5S/c21-16(19-17-18-11-3-1-2-4-15(11)26-17)6-5-10-7-13-14(25-9-24-13)8-12(10)20(22)23/h1-8H,9H2,(H,18,19,21)/b6-5+