7-(diphenylmethylidene)-2-(pyridin-1-ium-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylate

Systemtic Name: 7-(diphenylmethylidene)-2-(pyridin-1-ium-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylate Openeye Name: 7-benzhydrylidene-2-(pyridin-1-ium-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylate CAS Name: 7-(diphenylmethylene)-2-[oxo-(2-pyridin-1-iumylamino)methyl]-3-bicyclo[2.2.1]hept-5-enecarboxylate IUPAC Name: 7-benzhydrylidene-2-(pyridin-1-ium-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylate Traditional Name: 7-benzhydrylidene-2-(pyridin-1-ium-2-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-3-carboxylate Formula: C27H22N2O3 MolecularWeight: 422.47518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C2C3C=CC2C(C3C(=O)NC4=CC=CC=[NH+]4)C(=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=C2C3C=CC2C(C3C(=O)NC4=CC=CC=[NH+]4)C(=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H22N2O3/c30-26(29-21-13-7-8-16-28-21)24-19-14-15-20(25(24)27(31)32)23(19)22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16,19-20,24-25H,(H,31,32)(H,28,29,30)