[(3R)-3-cyano-4-oxidanylidene-5-pyridin-4-ylcarbonyloxy-pentan-2-ylidene]azanium

Systemtic Name: [(3R)-3-cyano-4-oxidanylidene-5-pyridin-4-ylcarbonyloxy-pentan-2-ylidene]azanium Openeye Name: [(2R)-2-cyano-1-methyl-3-oxo-4-(pyridine-4-carbonyloxy)butylidene]ammonium CAS Name: [(3R)-3-cyano-4-oxo-5-[oxo(pyridin-4-yl)methoxy]pentan-2-ylidene]ammonium IUPAC Name: [(3R)-3-cyano-4-oxo-5-(pyridine-4-carbonyloxy)pentan-2-ylidene]azanium Traditional Name: [(2R)-2-cyano-4-isonicotinoyloxy-3-keto-1-methyl-butylidene]ammonium Formula: C12H12N3O3+ MolecularWeight: 246.24198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[NH2+])C(C#N)C(=O)COC(=O)C1=CC=NC=C1

Isomeric SMILES

CC(=[NH2+])[C@H](C#N)C(=O)COC(=O)C1=CC=NC=C1

InChI

InChI=1S/C12H11N3O3/c1-8(14)10(6-13)11(16)7-18-12(17)9-2-4-15-5-3-9/h2-5,10,14H,7H2,1H3/p+1/t10-/m0/s1