(E)-3-(4-aminophenyl)-2-[(2-chloranylpyridin-3-yl)carbonylamino]but-2-enoate

Systemtic Name: (E)-3-(4-aminophenyl)-2-[(2-chloranylpyridin-3-yl)carbonylamino]but-2-enoate Openeye Name: (E)-3-(4-aminophenyl)-2-[(2-chloropyridine-3-carbonyl)amino]but-2-enoate CAS Name: (E)-3-(4-aminophenyl)-2-[[(2-chloro-3-pyridinyl)-oxomethyl]amino]-2-butenoate IUPAC Name: (E)-3-(4-aminophenyl)-2-[(2-chloropyridine-3-carbonyl)amino]but-2-enoate Traditional Name: (E)-3-(4-aminophenyl)-2-[(2-chloronicotinoyl)amino]but-2-enoate Formula: C16H13ClN3O3- MolecularWeight: 330.74572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)[O-])NC(=O)C1=C(N=CC=C1)Cl)C2=CC=C(C=C2)N

Isomeric SMILES

C/C(=C(/C(=O)[O-])\NC(=O)C1=C(N=CC=C1)Cl)/C2=CC=C(C=C2)N

InChI

InChI=1S/C16H14ClN3O3/c1-9(10-4-6-11(18)7-5-10)13(16(22)23)20-15(21)12-3-2-8-19-14(12)17/h2-8H,18H2,1H3,(H,20,21)(H,22,23)/p-1/b13-9+