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Chemical ID: 6520424

Cc1cc(c(cc1C)[N+](=O)[O-])c2ccc(o2)C=C3C(=C(C(=NC3=O)O)C#N)C

Chemical ID:

6520424

Name [?]:

5-[[5-(4,5-dimethyl-2-nitro-phenyl)-2-furyl]methylene]-2-hydroxy-4-methyl-6-oxo-pyridine-3-carbonitrile

SMILES [?]:

Cc1cc(c(cc1C)[N+](=O)[O-])c2ccc(o2)C=C3C(=C(C(=NC3=O)O)C#N)C

InChi [?]:

InChI=1/C20H15N3O5/c1-10-6-15(17(23(26)27)7-11(10)2)18-5-4-13(28-18)8-14-12(3)16(9-21)20(25)22-19(14)24/h4-8H,1-3H3,(H,22,24,25)

InChi Info:

AuxInfo=1/1/N:1,8,28,14,13,3,6,17,26,2,7,19,15,18,4,20,5,12,23,21,27,22,9,24,25,10,11,16/E:(26,27)/CRV:23.5/rA:28nCCCCCCCCN+OO-CCCCOCCCCCNCOOCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s4;d12;s13;d14;s12s15;s15;w17;s18;d19;s20;d21;s18s22;d23;s21;s20;t26;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₅N₃O₅
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	4.98591
Area:	570.648
Solvation:	-9.2803
Coulombic:	-52.2025

Bond Count [?]

All:	30
Single:	19
Double:	10
Rotors:	3
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	377.35
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	3.48
LogP (Chemaxon):	3.15

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value