HIT ID: HIT106600691
Cas No: 3543-72-4
分子式: C14H17N3O4
分子量: 291.307
常用名: Ethyl 4-(1-methyl-5-nitro-1H-benzo[d]imidazol-2-yl)butanoate
常用名: Ethyl 4-(1-methyl-5-nitro-1H-benzo[d]imidazol-2-yl)butanoate
氢键受体数 (HBA): 4
氢键供体数 (HBD): 0
LogP: 2.3183624073333333
IUPAC: ethyl 4-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)butanoate
IUPAC: ethyl 4-(1-methyl-5-nitro-1H-1,3-benzodiazol-2-yl)butanoate
SMILES: CCOC(=O)CCCc1nc2cc(ccc2n1C)[N+]([O-])=O
SMILES: CCOC(=O)CCCc1nc2cc(ccc2n1C)[N+]([O-])=O
InChI key: VJVBGSJZBDBEIF-UHFFFAOYSA-N
