(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-(3-methoxybenzoyl)prop-2-enenitrile CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-[(3-methoxyphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-(3-methoxybenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-m-anisoyl-acrylonitrile Formula: C18H12ClNO4 MolecularWeight: 341.74518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C(=CC2=CC3=C(C(=C2)Cl)OCO3)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)/C(=C/C2=CC3=C(C(=C2)Cl)OCO3)/C#N

InChI

InChI=1S/C18H12ClNO4/c1-22-14-4-2-3-12(8-14)17(21)13(9-20)5-11-6-15(19)18-16(7-11)23-10-24-18/h2-8H,10H2,1H3/b13-5+