6-[[2-(prop-2-ynylcarbamoyl)phenyl]amino]-1H-indazole-3-carboxylic acid

Systemtic Name: 6-[[2-(prop-2-ynylcarbamoyl)phenyl]amino]-1H-indazole-3-carboxylic acid Openeye Name: 6-[2-(prop-2-ynylcarbamoyl)anilino]-1H-indazole-3-carboxylic acid CAS Name: 6-[2-[oxo-(prop-2-ynylamino)methyl]anilino]-1H-indazole-3-carboxylic acid IUPAC Name: 6-[2-(prop-2-ynylcarbamoyl)anilino]-1H-indazole-3-carboxylic acid Traditional Name: 6-[2-(propargylcarbamoyl)anilino]-1H-indazole-3-carboxylic acid Formula: C18H14N4O3 MolecularWeight: 334.32876

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C1=CC=CC=C1NC2=CC3=C(C=C2)C(=NN3)C(=O)O

Isomeric SMILES

C#CCNC(=O)C1=CC=CC=C1NC2=CC3=C(C=C2)C(=NN3)C(=O)O

InChI

InChI=1S/C18H14N4O3/c1-2-9-19-17(23)13-5-3-4-6-14(13)20-11-7-8-12-15(10-11)21-22-16(12)18(24)25/h1,3-8,10,20H,9H2,(H,19,23)(H,21,22)(H,24,25)