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Chemical ID: 6933722
Chemical ID:
6933722
Name [?]:
4-dimethylamino-N-(2-methoxy-4-nitro-phenyl)-benzamide
SMILES [?]:
CN(C)c1ccc(cc1)C(=O)Nc2ccc(cc2OC)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H17N3O4/c1-18(2)12-6-4-11(5-7-12)16(20)17-14-9-8-13(19(21)22)10-15(14)23-3/h4-10H,1-3H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,3,20,6,8,5,9,15,14,17,7,4,16,13,18,10,12,2,21,11,22,23,19/E:(1,2)(4,5)(6,7)(21,22)/CRV:19.5/rA:23nCNCCCCCCCCONCCCCCCOCN+OO-/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17N3O4 |
All Atoms: | 40 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.07592 |
Area: | 524.916 |
Solvation: | -8.04697 |
Coulombic: | -46.5191 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 315.324 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.89 |
LogP (Chemaxon): | 3.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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