Chemical ID: 6933722

CN(C)c1ccc(cc1)C(=O)Nc2ccc(cc2OC)[N+](=O)[O-]
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

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Descriptor Annotations

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