2-Propenamide, N-[4-[4,5-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]phenyl]-, chromium complex

80997-94-0

CAS Name

Chromate(1-), bis[N-[4-[4,5-dihydro-4-[2-[2-(hydroxy-κO)-5-nitrophenyl]diazenyl-κN¹]-3-methyl-5-(oxo-κO)-1H-pyrazol-1-yl]phenyl]-2-propenamidato(2-)]-, sodium (1:1)

Molecular Formula

C₃₈H₂₈CrN₁₂O₁₀.Na

Molecular Mass

887.69

Other Names and Identifiers

InChI

InChI=1S/2C19H15N6O5.Cr.Na/c2*1-3-17(27)20-12-4-6-13(7-5-12)24-19(28)18(11(2)23-24)22-21-15-10-14(25(29)30)8-9-16(15)26;;/h2*3-10,26H,1H2,2H3,(H,20,27);;/q2*-1;+3;+1/p-2

InChIKey

InChIKey=YNCSJGHVRHEBJA-UHFFFAOYSA-L

SMILES

CC=1[C-]2[N]=3[Cr+3]45([N]([C-]6C(=O4)N(N=C6C)C7=CC=C(NC(C=C)=O)C=C7)=NC=8C([O-]5)=CC=C(N(=O)=O)C8)(O=C2N(N1)C9=CC=C(NC(C=C)=O)C=C9)[O-]C=%10C(N3)=CC(N(=O)=O)=CC%10.[Na+]

Canonical SMILES

[Na+].O=C(C=C)NC1=CC=C(C=C1)N2N=C([C-]3C2=O[Cr+3]456(O=C7[C-](C(=NN7C8=CC=C(C=C8)NC(=O)C=C)C)[N]5=NC=9C=C(C=CC9[O-]4)N(=O)=O)[O-]C=%10C=CC(=CC%10N=[N]36)N(=O)=O)C

Other Names for this Substance