2-methylpropyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)carbonylamino]prop-2-enoate

Systemtic Name: 2-methylpropyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)carbonylamino]prop-2-enoate Openeye Name: isobutyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]prop-2-enoate CAS Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-[[(4-bromophenyl)-oxomethyl]amino]-2-propenoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]prop-2-enoate Traditional Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]acrylic acid isobutyl ester Formula: C21H20BrNO5 MolecularWeight: 446.2912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(=CC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)COC(=O)/C(=C/C1=CC2=C(C=C1)OCO2)/NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrNO5/c1-13(2)11-26-21(25)17(23-20(24)15-4-6-16(22)7-5-15)9-14-3-8-18-19(10-14)28-12-27-18/h3-10,13H,11-12H2,1-2H3,(H,23,24)/b17-9-