Chemical ID: 6166979

CC1=C(C(=O)N(C(=O)C1=Cc2ccc(o2)c3ccc(cc3OC)[N+](=O)[O-])C)C#N
Chemical ID:
6166979
Name [?]:
5-[[5-(2-methoxy-4-nitro-phenyl)-2-furyl]methylene]-1,4-dimethyl-2,6-dioxo-pyridine-3-carbonitrile
SMILES [?]:
CC1=C(C(=O)N(C(=O)C1=Cc2ccc(o2)c3ccc(cc3OC)[N+](=O)[O-])C)C#N
InChi [?]:
InChI=1/C20H15N3O6/c1-11-15(19(24)22(2)20(25)16(11)10-21)9-13-5-7-17(29-13)14-6-4-12(23(26)27)8-18(14)28-3/h4-9H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,23,18,12,17,13,20,10,28,2,19,11,16,9,3,14,21,7,4,29,6,24,8,5,25,26,22,15/E:(26,27)/CRV:23.5/rA:29nCCCCONCOCCCCCCOCCCCCCOCN+OO-CCN/rB:s1;d2;s3;d4;s4;s6;d7;s2s7;w9;s10;d11;s12;d13;s11s14;s14;s16;d17;s18;d19;d16s20;s21;s22;s19;d24;s24;s6;s3;t28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15N3O6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:4.26319
Area:596.399
Solvation:-10.6468
Coulombic:-53.1802
Bond Count [?]
All:31
Single:20
Double:10
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:393.35
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:1.93
LogP (Chemaxon):1.72

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Descriptor Annotations

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