(E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-(2-methylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)-2-(2-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(2-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-[(2-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-(2-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-o-toluoyl-acrylonitrile Formula: C18H12BrNO3 MolecularWeight: 370.19678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(=CC2=CC3=C(C=C2Br)OCO3)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)/C(=C/C2=CC3=C(C=C2Br)OCO3)/C#N

InChI

InChI=1S/C18H12BrNO3/c1-11-4-2-3-5-14(11)18(21)13(9-20)6-12-7-16-17(8-15(12)19)23-10-22-16/h2-8H,10H2,1H3/b13-6+