[3-ethynyl-2-[[3-(3-imidazol-1-ylphenyl)-3-oxidanylidene-propanoyl]amino]phenyl]carbamic acid

Systemtic Name: [3-ethynyl-2-[[3-(3-imidazol-1-ylphenyl)-3-oxidanylidene-propanoyl]amino]phenyl]carbamic acid Openeye Name: [3-ethynyl-2-[[3-(3-imidazol-1-ylphenyl)-3-oxo-propanoyl]amino]phenyl]carbamic acid CAS Name: [3-ethynyl-2-[[3-[3-(1-imidazolyl)phenyl]-1,3-dioxopropyl]amino]phenyl]carbamic acid IUPAC Name: [3-ethynyl-2-[[3-(3-imidazol-1-ylphenyl)-3-oxopropanoyl]amino]phenyl]carbamic acid Traditional Name: [3-ethynyl-2-[[3-(3-imidazol-1-ylphenyl)-3-keto-propanoyl]amino]phenyl]carbamic acid Formula: C21H16N4O4 MolecularWeight: 388.37614

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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)N3C=CN=C3

Isomeric SMILES

C#CC1=C(C(=CC=C1)NC(=O)O)NC(=O)CC(=O)C2=CC(=CC=C2)N3C=CN=C3

InChI

InChI=1S/C21H16N4O4/c1-2-14-5-4-8-17(23-21(28)29)20(14)24-19(27)12-18(26)15-6-3-7-16(11-15)25-10-9-22-13-25/h1,3-11,13,23H,12H2,(H,24,27)(H,28,29)