(E)-3-(1,3-benzodioxol-5-ylamino)-1-(3-methoxyphenyl)but-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzodioxol-5-ylamino)-1-(3-methoxyphenyl)but-2-en-1-one Openeye Name: (E)-3-(1,3-benzodioxol-5-ylamino)-1-(3-methoxyphenyl)but-2-en-1-one CAS Name: (E)-3-(1,3-benzodioxol-5-ylamino)-1-(3-methoxyphenyl)-2-buten-1-one IUPAC Name: (E)-3-(1,3-benzodioxol-5-ylamino)-1-(3-methoxyphenyl)but-2-en-1-one Traditional Name: (E)-3-(1,3-benzodioxol-5-ylamino)-1-(3-methoxyphenyl)but-2-en-1-one Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1=CC(=CC=C1)OC)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C/C(=C\C(=O)C1=CC(=CC=C1)OC)/NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H17NO4/c1-12(8-16(20)13-4-3-5-15(9-13)21-2)19-14-6-7-17-18(10-14)23-11-22-17/h3-10,19H,11H2,1-2H3/b12-8+