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

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H17BrN2O5 MolecularWeight: 397.22058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)C(C#N)C(=N)C)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O5/c1-4-23-14-6-10(5-12(17)15(14)22-3)16(21)24-8-13(20)11(7-18)9(2)19/h5-6,11,19H,4,8H2,1-3H3/t11-/m1/s1