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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-(6-nitro-1,3-benzothiazol-2-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=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=CC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

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