5-(4-methyl-2,2-diphenyl-1H-pyridin-1-ium-1-yl)pentanenitrile; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 5-(4-methyl-2,2-diphenyl-1H-pyridin-1-ium-1-yl)pentanenitrile; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-hydroxy-4-oxo-but-2-enoate; 5-(4-methyl-2,2-diphenyl-1H-pyridin-1-ium-1-yl)pentanenitrile CAS Name: (E)-4-hydroxy-4-oxo-2-butenoate; 5-(4-methyl-2,2-diphenyl-1H-pyridin-1-ium-1-yl)pentanenitrile IUPAC Name: (E)-4-hydroxy-4-oxobut-2-enoate; 5-(4-methyl-2,2-diphenyl-1H-pyridin-1-ium-1-yl)pentanenitrile Traditional Name: (E)-4-hydroxy-4-keto-but-2-enoate; 5-(4-methyl-2,2-diphenyl-1H-pyridin-1-ium-1-yl)valeronitrile Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC([NH+](C=C1)CCCCC#N)(C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC1=CC([NH+](C=C1)CCCCC#N)(C2=CC=CC=C2)C3=CC=CC=C3.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C23H24N2.C4H4O4/c1-20-15-18-25(17-10-4-9-16-24)23(19-20,21-11-5-2-6-12-21)22-13-7-3-8-14-22;5-3(6)1-2-4(7)8/h2-3,5-8,11-15,18-19H,4,9-10,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+