(E)-2-(4-chlorophenyl)carbonyl-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-chlorophenyl)carbonyl-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile Openeye Name: (E)-2-(4-chlorobenzoyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile CAS Name: (E)-2-[(4-chlorophenyl)-oxomethyl]-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-propenenitrile IUPAC Name: (E)-2-(4-chlorobenzoyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile Traditional Name: (E)-2-(4-chlorobenzoyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)acrylonitrile Formula: C18H12ClNO4 MolecularWeight: 341.74518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C=C(C#N)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)/C=C(\C#N)/C(=O)C3=CC=C(C=C3)Cl

InChI

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