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

Systemtic Name: (E)-N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C17H10ClN3O5S MolecularWeight: 403.7964

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H10ClN3O5S/c18-10-2-3-11-15(6-10)27-17(19-11)20-16(22)4-1-9-5-13-14(26-8-25-13)7-12(9)21(23)24/h1-7H,8H2,(H,19,20,22)/b4-1+