prop-2-ynyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromophenyl)carbonylamino]prop-2-enoate

Systemtic Name: prop-2-ynyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromophenyl)carbonylamino]prop-2-enoate Openeye Name: prop-2-ynyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoate CAS Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-[[(2-bromophenyl)-oxomethyl]amino]-2-propenoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoate Traditional Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]acrylic acid propargyl ester Formula: C20H14BrNO5 MolecularWeight: 428.23286

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)C(=CC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

C#CCOC(=O)/C(=C/C1=CC2=C(C=C1)OCO2)/NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C20H14BrNO5/c1-2-9-25-20(24)16(22-19(23)14-5-3-4-6-15(14)21)10-13-7-8-17-18(11-13)27-12-26-17/h1,3-8,10-11H,9,12H2,(H,22,23)/b16-10-