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

Systemtic Name: (E)-N-(3-chloranyl-4-methoxy-phenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(3-chloro-4-methoxy-phenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(3-chloro-4-methoxy-phenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C18H12ClN3O6 MolecularWeight: 401.75738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)/C(=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)/C#N)Cl

InChI

InChI=1S/C18H12ClN3O6/c1-26-15-3-2-12(6-13(15)19)21-18(23)11(8-20)4-10-5-16-17(28-9-27-16)7-14(10)22(24)25/h2-7H,9H2,1H3,(H,21,23)/b11-4+