(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-methyl-2-oxidanyl-benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-methyl-2-oxidanyl-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)OCC(=O)C(C#N)C(=N)C

InChI

InChI=1S/C14H14N2O4/c1-8-4-3-5-10(13(8)18)14(19)20-7-12(17)11(6-15)9(2)16/h3-5,11,16,18H,7H2,1-2H3