2-[2-(5,5-dimethyl-8-oxidanylidene-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine-3-carboxylate

Systemtic Name: 2-[2-(5,5-dimethyl-8-oxidanylidene-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine-3-carboxylate Openeye Name: 2-[2-(1,1-dimethyl-4-oxo-tetralin-6-yl)ethynyl]pyridine-3-carboxylate CAS Name: 2-[2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]-3-pyridinecarboxylate IUPAC Name: 2-[2-(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]pyridine-3-carboxylate Traditional Name: 2-[2-(4-keto-1,1-dimethyl-tetralin-6-yl)ethynyl]nicotinate Formula: C20H16NO3- MolecularWeight: 318.34594

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C2=C1C=CC(=C2)C#CC3=C(C=CC=N3)C(=O)[O-])C

Isomeric SMILES

CC1(CCC(=O)C2=C1C=CC(=C2)C#CC3=C(C=CC=N3)C(=O)[O-])C

InChI

InChI=1S/C20H17NO3/c1-20(2)10-9-18(22)15-12-13(5-7-16(15)20)6-8-17-14(19(23)24)4-3-11-21-17/h3-5,7,11-12H,9-10H2,1-2H3,(H,23,24)/p-1