1-(4-chlorophenyl)-4-oxidanylidene-5-prop-2-ynoxy-cinnoline-3-carboxylic acid

Systemtic Name: 1-(4-chlorophenyl)-4-oxidanylidene-5-prop-2-ynoxy-cinnoline-3-carboxylic acid Openeye Name: 1-(4-chlorophenyl)-4-oxo-5-prop-2-ynoxy-cinnoline-3-carboxylic acid CAS Name: 1-(4-chlorophenyl)-4-oxo-5-prop-2-ynoxy-3-cinnolinecarboxylic acid IUPAC Name: 1-(4-chlorophenyl)-4-oxo-5-prop-2-ynoxycinnoline-3-carboxylic acid Traditional Name: 1-(4-chlorophenyl)-4-keto-5-propargyloxy-cinnoline-3-carboxylic acid Formula: C18H11ClN2O4 MolecularWeight: 354.74394

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC2=C1C(=O)C(=NN2C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C#CCOC1=CC=CC2=C1C(=O)C(=NN2C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H11ClN2O4/c1-2-10-25-14-5-3-4-13-15(14)17(22)16(18(23)24)20-21(13)12-8-6-11(19)7-9-12/h1,3-9H,10H2,(H,23,24)