[2-[[3-(2-cyanopyridin-4-yl)-3-oxidanylidene-propanoyl]amino]-3-ethynyl-phenyl]carbamic acid

Systemtic Name: [2-[[3-(2-cyanopyridin-4-yl)-3-oxidanylidene-propanoyl]amino]-3-ethynyl-phenyl]carbamic acid Openeye Name: [2-[[3-(2-cyano-4-pyridyl)-3-oxo-propanoyl]amino]-3-ethynyl-phenyl]carbamic acid CAS Name: [2-[[3-(2-cyano-4-pyridinyl)-1,3-dioxopropyl]amino]-3-ethynylphenyl]carbamic acid IUPAC Name: [2-[[3-(2-cyanopyridin-4-yl)-3-oxopropanoyl]amino]-3-ethynylphenyl]carbamic acid Traditional Name: [2-[[3-(2-cyano-4-pyridyl)-3-keto-propanoyl]amino]-3-ethynyl-phenyl]carbamic acid Formula: C18H12N4O4 MolecularWeight: 348.31228

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C(=CC=C1)NC(=O)O)NC(=O)CC(=O)C2=CC(=NC=C2)C#N

Isomeric SMILES

C#CC1=C(C(=CC=C1)NC(=O)O)NC(=O)CC(=O)C2=CC(=NC=C2)C#N

InChI

InChI=1S/C18H12N4O4/c1-2-11-4-3-5-14(21-18(25)26)17(11)22-16(24)9-15(23)12-6-7-20-13(8-12)10-19/h1,3-8,21H,9H2,(H,22,24)(H,25,26)