[(3S)-5-[2-(4-chloranyl-2-methyl-phenoxy)ethanoyloxy]-3-cyano-4-oxidanylidene-pentan-2-ylidene]azanium

Systemtic Name: [(3S)-5-[2-(4-chloranyl-2-methyl-phenoxy)ethanoyloxy]-3-cyano-4-oxidanylidene-pentan-2-ylidene]azanium Openeye Name: [(2S)-4-[2-(4-chloro-2-methyl-phenoxy)acetyl]oxy-2-cyano-1-methyl-3-oxo-butylidene]ammonium CAS Name: [(3S)-5-[2-(4-chloro-2-methylphenoxy)-1-oxoethoxy]-3-cyano-4-oxopentan-2-ylidene]ammonium IUPAC Name: [(3S)-5-[2-(4-chloro-2-methylphenoxy)acetyl]oxy-3-cyano-4-oxopentan-2-ylidene]azanium Traditional Name: [(2S)-4-[2-(4-chloro-2-methyl-phenoxy)acetyl]oxy-2-cyano-3-keto-1-methyl-butylidene]ammonium Formula: C15H16ClN2O4+ MolecularWeight: 323.75154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)OCC(=O)C(C#N)C(=[NH2+])C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)OCC(=O)[C@H](C#N)C(=[NH2+])C

InChI

InChI=1S/C15H15ClN2O4/c1-9-5-11(16)3-4-14(9)21-8-15(20)22-7-13(19)12(6-17)10(2)18/h3-5,12,18H,7-8H2,1-2H3/p+1/t12-/m1/s1