[(3R)-3-cyano-5-(2,5-dimethylphenyl)carbonyloxy-4-oxidanylidene-pentan-2-ylidene]azanium

Systemtic Name: [(3R)-3-cyano-5-(2,5-dimethylphenyl)carbonyloxy-4-oxidanylidene-pentan-2-ylidene]azanium Openeye Name: [(2R)-2-cyano-4-(2,5-dimethylbenzoyl)oxy-1-methyl-3-oxo-butylidene]ammonium CAS Name: [(3R)-3-cyano-5-[(2,5-dimethylphenyl)-oxomethoxy]-4-oxopentan-2-ylidene]ammonium IUPAC Name: [(3R)-3-cyano-5-(2,5-dimethylbenzoyl)oxy-4-oxopentan-2-ylidene]azanium Traditional Name: [(2R)-2-cyano-4-(2,5-dimethylbenzoyl)oxy-3-keto-1-methyl-butylidene]ammonium Formula: C15H17N2O3+ MolecularWeight: 273.30708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3/c1-9-4-5-10(2)12(6-9)15(19)20-8-14(18)13(7-16)11(3)17/h4-6,13,17H,8H2,1-3H3/p+1/t13-/m0/s1