(E)-3-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-(2-methylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)-2-(2-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)-2-(2-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-2-[(2-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-2-(2-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-chloro-5-methoxy-4-propargyloxy-phenyl)-2-o-toluoyl-acrylonitrile Formula: C21H16ClNO3 MolecularWeight: 365.80964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(=CC2=CC(=C(C(=C2)Cl)OCC#C)OC)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)/C(=C/C2=CC(=C(C(=C2)Cl)OCC#C)OC)/C#N

InChI

InChI=1S/C21H16ClNO3/c1-4-9-26-21-18(22)11-15(12-19(21)25-3)10-16(13-23)20(24)17-8-6-5-7-14(17)2/h1,5-8,10-12H,9H2,2-3H3/b16-10+