Mol:
16732-57-3.mol by:chem960.com
ChemDraw08031019472D
…………
00 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9326 1.8692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 1.5700 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
1.3597 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.3550 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 8 1 0 0 0 0
13 14 1 0 0 0 0
14 6 2 0 0 0 0
11 15 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
M CHG 1 15 1
M CHG 1 17 -1
M END
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5-硝基吲哚-2-羧酸乙酯 MDL: MFCD00216477
5-硝基吲哚-2-羧酸乙酯 InChIKey: DVFJMQCNICEPAI-UHFFFAOYSA-N
5-硝基吲哚-2-羧酸乙酯 Inchi: 1S/C11H10N2O4/c1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10/h3-6,12H,2H2,1H3
5-硝基吲哚-2-羧酸乙酯 SMILES: O(C([H])([H])C([H])([H])[H])C(C1=C([H])C2C([H])=C(C([H])=C([H])C=2N1[H])[N+](=O)[O-])=O