(E)-N-(5-ethanoyl-4-phenyl-1,3-thiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-(5-ethanoyl-4-phenyl-1,3-thiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(5-acetyl-4-phenyl-thiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(5-acetyl-4-phenyl-2-thiazolyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(5-acetyl-4-phenyl-thiazol-2-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C21H15N3O6S MolecularWeight: 437.4253

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N=C(S1)NC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=C(N=C(S1)NC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H15N3O6S/c1-12(25)20-19(13-5-3-2-4-6-13)23-21(31-20)22-18(26)8-7-14-9-16-17(30-11-29-16)10-15(14)24(27)28/h2-10H,11H2,1H3,(H,22,23,26)/b8-7+