[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H19BrN2O5 MolecularWeight: 411.24716

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)C(C#N)C(=N)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)[C@@H](C#N)C(=N)C)OC

InChI

InChI=1S/C17H19BrN2O5/c1-4-5-24-16-13(18)6-11(7-15(16)23-3)17(22)25-9-14(21)12(8-19)10(2)20/h6-7,12,20H,4-5,9H2,1-3H3/t12-/m0/s1