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

Systemtic Name: (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C18H13N3O5S MolecularWeight: 383.37792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C18H13N3O5S/c1-10-19-13-4-3-12(7-17(13)27-10)20-18(22)5-2-11-6-15-16(26-9-25-15)8-14(11)21(23)24/h2-8H,9H2,1H3,(H,20,22)/b5-2+