[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 3-chloro-4-isopropoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propan-2-yloxybenzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate Traditional Name: 3-chloro-4-isopropoxy-5-methoxy-benzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H19ClN2O5 MolecularWeight: 366.79616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OCC(=O)C(C#N)C(=N)C)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OCC(=O)[C@H](C#N)C(=N)C)OC

InChI

InChI=1S/C17H19ClN2O5/c1-9(2)25-16-13(18)5-11(6-15(16)23-4)17(22)24-8-14(21)12(7-19)10(3)20/h5-6,9,12,20H,8H2,1-4H3/t12-/m1/s1