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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)C(C#N)C(=N)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)[C@H](C#N)C(=N)C)OC

InChI

InChI=1S/C16H17BrN2O5/c1-4-23-15-12(17)5-10(6-14(15)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