ethyl 4-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromophenyl)carbonylamino]prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromophenyl)carbonylamino]prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[[(2-bromophenyl)-oxomethyl]amino]-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]acryloyl]amino]benzoic acid ethyl ester Formula: C26H21BrN2O6 MolecularWeight: 537.35874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C\C2=CC3=C(C=C2)OCO3)/NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C26H21BrN2O6/c1-2-33-26(32)17-8-10-18(11-9-17)28-25(31)21(29-24(30)19-5-3-4-6-20(19)27)13-16-7-12-22-23(14-16)35-15-34-22/h3-14H,2,15H2,1H3,(H,28,31)(H,29,30)/b21-13+