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SMILES: c1(c2n(cc(c1)Br)ccn2)C(=O)O Canonical SMILES: Brc1cn2ccnc2c(c1)C(=O)O InChI: InChI=1S/C8H5BrN2O2/c9-5-3-6(8(12)13)7-10-1-2-11(7)4-5/h1-4H,(H,12,13) InChIKey: XPFDJWFDQORPQO-UHFFFAOYSA-N
CBID:64656 http://www.chembase.cn/molecule-64656.html