(Z)-2-benzamido-3-diethoxyphosphoryl-3-phenyl-prop-2-enoic acid; 5-chloranylpyridin-2-amine

Systemtic Name: (Z)-2-benzamido-3-diethoxyphosphoryl-3-phenyl-prop-2-enoic acid; 5-chloranylpyridin-2-amine Openeye Name: (Z)-2-benzamido-3-diethoxyphosphoryl-3-phenyl-prop-2-enoic acid; 5-chloropyridin-2-amine CAS Name: (Z)-2-benzamido-3-diethoxyphosphoryl-3-phenyl-2-propenoic acid; 5-chloro-2-pyridinamine IUPAC Name: (Z)-2-benzamido-3-diethoxyphosphoryl-3-phenylprop-2-enoic acid; 5-chloropyridin-2-amine Traditional Name: (Z)-2-benzamido-3-diethoxyphosphoryl-3-phenyl-acrylic acid; (5-chloro-2-pyridyl)amine Formula: C25H27ClN3O6P MolecularWeight: 531.925141

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=C(C(=O)O)NC(=O)C1=CC=CC=C1)C2=CC=CC=C2)OCC.C1=CC(=NC=C1Cl)N

Isomeric SMILES

CCOP(=O)(/C(=C(/C(=O)O)\NC(=O)C1=CC=CC=C1)/C2=CC=CC=C2)OCC.C1=CC(=NC=C1Cl)N

InChI

InChI=1S/C20H22NO6P.C5H5ClN2/c1-3-26-28(25,27-4-2)18(15-11-7-5-8-12-15)17(20(23)24)21-19(22)16-13-9-6-10-14-16;6-4-1-2-5(7)8-3-4/h5-14H,3-4H2,1-2H3,(H,21,22)(H,23,24);1-3H,(H2,7,8)/b18-17-;