methyl 4-(4-azanylidene-3-cyano-2-oxidanylidene-pentoxy)benzoate

Systemtic Name: methyl 4-(4-azanylidene-3-cyano-2-oxidanylidene-pentoxy)benzoate Openeye Name: methyl 4-(3-cyano-4-imino-2-oxo-pentoxy)benzoate CAS Name: 4-(3-cyano-4-imino-2-oxopentoxy)benzoic acid methyl ester IUPAC Name: methyl 4-(3-cyano-4-imino-2-oxopentoxy)benzoate Traditional Name: 4-(3-cyano-4-imino-2-keto-pentoxy)benzoic acid methyl ester Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC1=CC=C(C=C1)C(=O)OC

InChI

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