| Properties | Image |
|---|
| MNX_ID | MNXM1190225 |
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| reference | envipathM:...60f8e142bc3d |
| formula | C22H22N2O7 |
| global charge | 0 |
| mol weight | 426.425 |
| InChIKey | NHRGMXWZPFNLOB-UHFFFAOYSA-N |
| InChI | InChI=1S/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,15-16,25-26,31H,7H2,1-3H3,(H2,23,30) |
| SMILES | CC1=C2CC3C(N(C)C)C(=O)C(C(N)=O)C(=O)C3(O)C(=O)C2=C(O)C2=C(O)C=CC=C12 |
MNX internals
| InChI (mnx) | InChI=1/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,15-16,25-26,31H,7H2,1-3H3,(H2,23,30)/t11?,15?,16?,22? |
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| SMILES (mnx) | [CH3:1][C:8]1=[C:9]2[CH:5]=[CH:4][CH:6]=[C:12]([OH:25])[C:13]2=[C:17]([OH:26])[C:14]2=[C:10]1[CH2:7][CH:11]1[CH:16]([N:24]([CH3:2])[CH3:3])[C:18](=[O:27])[CH:15]([C:21](=[NH:23])[OH:30])[C:20](=[O:29])[C:22]1([OH:31])[C:19]2=[O:28] |
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