ethyl (E)-2-(2-chloranylpyridin-3-yl)carbonyl-3-(pyridin-4-ylamino)prop-2-enoate

Systemtic Name: ethyl (E)-2-(2-chloranylpyridin-3-yl)carbonyl-3-(pyridin-4-ylamino)prop-2-enoate Openeye Name: ethyl (E)-2-(2-chloropyridine-3-carbonyl)-3-(4-pyridylamino)prop-2-enoate CAS Name: (E)-2-[(2-chloro-3-pyridinyl)-oxomethyl]-3-(pyridin-4-ylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-(2-chloropyridine-3-carbonyl)-3-(pyridin-4-ylamino)prop-2-enoate Traditional Name: (E)-2-(2-chloronicotinoyl)-3-(4-pyridylamino)acrylic acid ethyl ester Formula: C16H14ClN3O3 MolecularWeight: 331.75366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=NC=C1)C(=O)C2=C(N=CC=C2)Cl

Isomeric SMILES

CCOC(=O)/C(=C/NC1=CC=NC=C1)/C(=O)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C16H14ClN3O3/c1-2-23-16(22)13(10-20-11-5-8-18-9-6-11)14(21)12-4-3-7-19-15(12)17/h3-10H,2H2,1H3,(H,18,20)/b13-10+