HIT ID: HIT212650482
Cas No: 130929-57-6
分子式: C14H15N3O5
分子量: 305.29
常用名: Entacapone
氢键受体数 (HBA): 6
氢键供体数 (HBD): 2
LogP: 1.6348238
IUPAC: (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide
IUPAC: (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide
SMILES: CCN(CC)C(=O)C(=C\c1cc(O)c(O)c(c1)[N+]([O-])=O)\C#N
SMILES: CCN(CC)C(=O)C(=C\c1cc(O)c(O)c(c1)[N+]([O-])=O)\C#N
InChI key: JRURYQJSLYLRLN-BJMVGYQFSA-N
