3-[2-(3-aminophenyl)ethynyl]xanthen-9-one

Systemtic Name: 3-[2-(3-aminophenyl)ethynyl]xanthen-9-one Openeye Name: 3-[2-(3-aminophenyl)ethynyl]xanthen-9-one CAS Name: 3-[2-(3-aminophenyl)ethynyl]-9-xanthenone IUPAC Name: 3-[2-(3-aminophenyl)ethynyl]xanthen-9-one Traditional Name: 3-[2-(3-aminophenyl)ethynyl]xanthone Formula: C21H13NO2 MolecularWeight: 311.33342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)C#CC4=CC(=CC=C4)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)C#CC4=CC(=CC=C4)N

InChI

InChI=1S/C21H13NO2/c22-16-5-3-4-14(12-16)8-9-15-10-11-18-20(13-15)24-19-7-2-1-6-17(19)21(18)23/h1-7,10-13H,22H2