1-(4-cyanophenyl)-4-oxidanylidene-5-[(E)-prop-1-enoxy]cinnoline-3-carboxylic acid

Systemtic Name: 1-(4-cyanophenyl)-4-oxidanylidene-5-[(E)-prop-1-enoxy]cinnoline-3-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-4-oxo-5-[(E)-prop-1-enoxy]cinnoline-3-carboxylic acid CAS Name: 1-(4-cyanophenyl)-4-oxo-5-[(E)-prop-1-enoxy]-3-cinnolinecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-4-oxo-5-[(E)-prop-1-enoxy]cinnoline-3-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-4-keto-5-[(E)-prop-1-enoxy]cinnoline-3-carboxylic acid Formula: C19H13N3O4 MolecularWeight: 347.32422

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Descriptors Computed from Structure

Canonical SMILES:

CC=COC1=CC=CC2=C1C(=O)C(=NN2C3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

C/C=C/OC1=CC=CC2=C1C(=O)C(=NN2C3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C19H13N3O4/c1-2-10-26-15-5-3-4-14-16(15)18(23)17(19(24)25)21-22(14)13-8-6-12(11-20)7-9-13/h2-10H,1H3,(H,24,25)/b10-2+