6-[(5Z)-5-[2,3-di(propan-2-yl)-1H-pyrazol-5-ylidene]pyrrol-2-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[(5Z)-5-[2,3-di(propan-2-yl)-1H-pyrazol-5-ylidene]pyrrol-2-yl]pyridine-3-carboxylic acid Openeye Name: 6-[(5Z)-5-(2,3-diisopropyl-1H-pyrazol-5-ylidene)pyrrol-2-yl]pyridine-3-carboxylic acid CAS Name: 6-[(5Z)-5-[2,3-di(propan-2-yl)-1H-pyrazol-5-ylidene]-2-pyrrolyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[(5Z)-5-[2,3-di(propan-2-yl)-1H-pyrazol-5-ylidene]pyrrol-2-yl]pyridine-3-carboxylic acid Traditional Name: 6-[(5Z)-5-(1,5-diisopropyl-3-pyrazolin-3-ylidene)pyrrol-2-yl]nicotinic acid Formula: C19H22N4O2 MolecularWeight: 338.40358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C=CC(=N2)C3=NC=C(C=C3)C(=O)O)NN1C(C)C

Isomeric SMILES

CC(C)C1=C/C(=C/2\C=CC(=N2)C3=NC=C(C=C3)C(=O)O)/NN1C(C)C

InChI

InChI=1S/C19H22N4O2/c1-11(2)18-9-17(22-23(18)12(3)4)16-8-7-15(21-16)14-6-5-13(10-20-14)19(24)25/h5-12,22H,1-4H3,(H,24,25)/b17-16-