(E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Openeye Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenamide IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acrylamide Formula: C21H18ClN3O7 MolecularWeight: 459.83652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)Cl)OC

InChI

InChI=1S/C21H18ClN3O7/c1-3-30-19-8-12(7-14(22)20(19)29-2)6-13(11-23)21(26)24-15-9-17-18(32-5-4-31-17)10-16(15)25(27)28/h6-10H,3-5H2,1-2H3,(H,24,26)/b13-6+