[2-[[3-(3-cyanophenyl)-3-oxidanylidene-propanoyl]amino]-3-ethynyl-phenyl]carbamic acid

Systemtic Name: [2-[[3-(3-cyanophenyl)-3-oxidanylidene-propanoyl]amino]-3-ethynyl-phenyl]carbamic acid Openeye Name: [2-[[3-(3-cyanophenyl)-3-oxo-propanoyl]amino]-3-ethynyl-phenyl]carbamic acid CAS Name: [2-[[3-(3-cyanophenyl)-1,3-dioxopropyl]amino]-3-ethynylphenyl]carbamic acid IUPAC Name: [2-[[3-(3-cyanophenyl)-3-oxopropanoyl]amino]-3-ethynylphenyl]carbamic acid Traditional Name: [2-[[3-(3-cyanophenyl)-3-keto-propanoyl]amino]-3-ethynyl-phenyl]carbamic acid Formula: C19H13N3O4 MolecularWeight: 347.32422

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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=CC(=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C19H13N3O4/c1-2-13-6-4-8-15(21-19(25)26)18(13)22-17(24)10-16(23)14-7-3-5-12(9-14)11-20/h1,3-9,21H,10H2,(H,22,24)(H,25,26)