2-[[2-cyano-3-oxidanylidene-3-(1-phenyl-4H-indeno[1,2-c]pyrazol-3-yl)propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-cyano-3-oxidanylidene-3-(1-phenyl-4H-indeno[1,2-c]pyrazol-3-yl)propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-cyano-3-oxo-3-(1-phenyl-4H-indeno[1,2-c]pyrazol-3-yl)propanoyl]amino]acetic acid CAS Name: 2-[[2-cyano-1,3-dioxo-3-(1-phenyl-4H-indeno[1,2-c]pyrazol-3-yl)propyl]amino]acetic acid IUPAC Name: 2-[[2-cyano-3-oxo-3-(1-phenyl-4H-indeno[1,2-c]pyrazol-3-yl)propanoyl]amino]acetic acid Traditional Name: 2-[[2-cyano-3-keto-3-(1-phenyl-4H-indeno[1,2-c]pyrazol-3-yl)propanoyl]amino]acetic acid Formula: C22H16N4O4 MolecularWeight: 400.38684

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C3=C1C(=NN3C4=CC=CC=C4)C(=O)C(C#N)C(=O)NCC(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C3=C1C(=NN3C4=CC=CC=C4)C(=O)C(C#N)C(=O)NCC(=O)O

InChI

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