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

Systemtic Name: 4-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(2-chlorophenyl)carbonylamino]prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(2-chlorobenzoyl)amino]prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[[(2-chlorophenyl)-oxomethyl]amino]-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(2-chlorobenzoyl)amino]prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(2-chlorobenzoyl)amino]acryloyl]amino]benzoate Formula: C24H16ClN2O6- MolecularWeight: 463.84664

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NC3=CC=C(C=C3)C(=O)[O-])NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NC3=CC=C(C=C3)C(=O)[O-])/NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C24H17ClN2O6/c25-18-4-2-1-3-17(18)22(28)27-19(11-14-5-10-20-21(12-14)33-13-32-20)23(29)26-16-8-6-15(7-9-16)24(30)31/h1-12H,13H2,(H,26,29)(H,27,28)(H,30,31)/p-1/b19-11+