Chemical ID: 6495695

Cc1ccc(c(c1)[N+](=O)[O-])NC=C2C(=C(C(=O)N(C2=O)C)C#N)C
Chemical ID:
6495695
Name [?]:
1,4-dimethyl-5-[(4-methyl-2-nitro-phenyl)aminomethylene]-2,6-dioxo-pyridine-3-carbonitrile
SMILES [?]:
Cc1ccc(c(c1)[N+](=O)[O-])NC=C2C(=C(C(=O)N(C2=O)C)C#N)C
InChi [?]:
InChI=1/C16H14N4O4/c1-9-4-5-13(14(6-9)20(23)24)18-8-12-10(2)11(7-17)15(21)19(3)16(12)22/h4-6,8,18H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,21,3,4,7,22,12,2,14,15,13,5,6,16,19,23,11,18,8,17,20,9,10/E:(23,24)/CRV:20.5/rA:24nCCCCCCCN+OO-NCCCCCONCOCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;s11;w12;s13;d14;s15;d16;s16;s13s18;d19;s18;s15;t22;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N4O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:6.00055
Area:506.427
Solvation:-6.66011
Coulombic:-54.1655
Bond Count [?]
All:25
Single:16
Double:8
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:326.307
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.03
LogP (Chemaxon):2.21

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