Chemical ID: 6934958

Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)Nc2ccccc2C(C)C
Chemical ID:
6934958
Name [?]:
N-(2-isopropylphenyl)-2-methyl-3,5-dinitro-benzamide
SMILES [?]:
Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)Nc2ccccc2C(C)C
InChi [?]:
InChI=1/C17H17N3O5/c1-10(2)13-6-4-5-7-15(13)18-17(21)14-8-12(19(22)23)9-16(11(14)3)20(24)25/h4-10H,1-3H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:24,25,1,20,19,21,18,4,6,23,2,5,22,3,17,7,14,16,11,8,15,12,13,9,10/E:(1,2)(22,23)(24,25)/CRV:19.5,20.5/rA:25nCCCCCCCN+OO-N+OO-CONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s5;d11;s11;s3;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17N3O5
All Atoms:42
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-0.291429
Area:545.634
Solvation:-13.9323
Coulombic:-39.0003
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:343.334
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.95
LogP (Chemaxon):4.02

Name Annotations

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Descriptor Annotations

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