[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3,4-diethoxybenzoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3,4-diethoxybenzoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C(C#N)C(=N)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)[C@@H](C#N)C(=N)C)OCC

InChI

InChI=1S/C17H20N2O5/c1-4-22-15-7-6-12(8-16(15)23-5-2)17(21)24-10-14(20)13(9-18)11(3)19/h6-8,13,19H,4-5,10H2,1-3H3/t13-/m0/s1