2-[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxidanylidene-pyridin-1-yl]ethanoylamino]benzoic acid

Systemtic Name: 2-[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxidanylidene-pyridin-1-yl]ethanoylamino]benzoic acid Openeye Name: 2-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridyl]acetyl]amino]benzoic acid CAS Name: 2-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxopyridin-1-yl]acetyl]amino]benzoic acid Traditional Name: 2-[[2-[3-cyano-2-keto-4-(methoxymethyl)-6-methyl-1-pyridyl]acetyl]amino]benzoic acid Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1CC(=O)NC2=CC=CC=C2C(=O)O)C#N)COC

Isomeric SMILES

CC1=CC(=C(C(=O)N1CC(=O)NC2=CC=CC=C2C(=O)O)C#N)COC

InChI

InChI=1S/C18H17N3O5/c1-11-7-12(10-26-2)14(8-19)17(23)21(11)9-16(22)20-15-6-4-3-5-13(15)18(24)25/h3-7H,9-10H2,1-2H3,(H,20,22)(H,24,25)