[2-[[3-(3-cyanophenyl)-3-oxidanylidene-propanoyl]amino]-4-pyridin-2-yl-phenyl]carbamic acid

Systemtic Name: [2-[[3-(3-cyanophenyl)-3-oxidanylidene-propanoyl]amino]-4-pyridin-2-yl-phenyl]carbamic acid Openeye Name: [2-[[3-(3-cyanophenyl)-3-oxo-propanoyl]amino]-4-(2-pyridyl)phenyl]carbamic acid CAS Name: [2-[[3-(3-cyanophenyl)-1,3-dioxopropyl]amino]-4-(2-pyridinyl)phenyl]carbamic acid IUPAC Name: [2-[[3-(3-cyanophenyl)-3-oxopropanoyl]amino]-4-pyridin-2-ylphenyl]carbamic acid Traditional Name: [2-[[3-(3-cyanophenyl)-3-keto-propanoyl]amino]-4-(2-pyridyl)phenyl]carbamic acid Formula: C22H16N4O4 MolecularWeight: 400.38684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CC(=C(C=C2)NC(=O)O)NC(=O)CC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=NC(=C1)C2=CC(=C(C=C2)NC(=O)O)NC(=O)CC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H16N4O4/c23-13-14-4-3-5-16(10-14)20(27)12-21(28)25-19-11-15(17-6-1-2-9-24-17)7-8-18(19)26-22(29)30/h1-11,26H,12H2,(H,25,28)(H,29,30)