4-chloranyl-2-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyrazole-3-carboxamide

Systemtic Name: 4-chloranyl-2-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyrazole-3-carboxamide Openeye Name: 4-chloro-2-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]pyrazole-3-carboxamide CAS Name: 4-chloro-2-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-pyrazolecarboxamide IUPAC Name: 4-chloro-2-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyrazole-3-carboxamide Traditional Name: 4-chloro-2-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]pyrazole-3-carboxamide Formula: C13H10ClN5O5 MolecularWeight: 351.702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Cl)C(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CN1C(=C(C=N1)Cl)C(=O)N/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C13H10ClN5O5/c1-18-12(8(14)5-16-18)13(20)17-15-4-7-2-10-11(24-6-23-10)3-9(7)19(21)22/h2-5H,6H2,1H3,(H,17,20)/b15-4+