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Chemical ID: 7510285
Chemical ID:
7510285
Name [?]:
methyl 2-[4-(3-methyl-4-nitro-benzoyl)aminophenoxy]acetate
SMILES [?]:
Cc1cc(ccc1[N+](=O)[O-])C(=O)Nc2ccc(cc2)OCC(=O)OC
InChi [?]:
InChI=1/C17H16N2O6/c1-11-9-12(3-8-15(11)19(22)23)17(21)18-13-4-6-14(7-5-13)25-10-16(20)24-2/h3-9H,10H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,25,5,15,19,16,18,6,3,21,2,4,14,17,7,22,11,13,8,23,12,9,10,24,20/E:(4,5)(6,7)(22,23)/CRV:19.5/rA:25nCCCCCCCN+OO-CONCCCCCCOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s4;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N2O6 |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 4.10844 |
Area: | 566.453 |
Solvation: | -10.0529 |
Coulombic: | -58.8351 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.61 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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