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

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-propoxybenzoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C16H18N2O4/c1-3-8-21-13-6-4-12(5-7-13)16(20)22-10-15(19)14(9-17)11(2)18/h4-7,14,18H,3,8,10H2,1-2H3/t14-/m0/s1