2-[(E)-(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)iminomethyl]benzoic acid

Systemtic Name: 2-[(E)-(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)iminomethyl]benzoic acid Openeye Name: 2-[(E)-(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)iminomethyl]benzoic acid CAS Name: 2-[(E)-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)iminomethyl]benzoic acid IUPAC Name: 2-[(E)-(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)iminomethyl]benzoic acid Traditional Name: 2-[(E)-(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)iminomethyl]benzoic acid Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1N=CC2=CC=CC=C2C(=O)O)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1/N=C/C2=CC=CC=C2C(=O)O)C#N)C

InChI

InChI=1S/C16H13N3O3/c1-10-7-11(2)19(15(20)14(10)8-17)18-9-12-5-3-4-6-13(12)16(21)22/h3-7,9H,1-2H3,(H,21,22)/b18-9+