(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(2-methoxyphenyl)propanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(2-methoxyphenyl)propanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-(2-methoxyphenyl)propanoate CAS Name: 3-(2-methoxyphenyl)propanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-(2-methoxyphenyl)propanoate Traditional Name: 3-(2-methoxyphenyl)propionic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CCC1=CC=CC=C1OC

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CCC1=CC=CC=C1OC

InChI

InChI=1S/C16H18N2O4/c1-11(18)13(9-17)14(19)10-22-16(20)8-7-12-5-3-4-6-15(12)21-2/h3-6,13,18H,7-8,10H2,1-2H3