(3E)-3-[[6-methyl-3-[3-(4-nitrophenyl)propyl]-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]hydrazinylidene]-6-nitro-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: (3E)-3-[[6-methyl-3-[3-(4-nitrophenyl)propyl]-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]hydrazinylidene]-6-nitro-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: (3E)-3-[[6-methyl-3-[3-(4-nitrophenyl)propyl]-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]hydrazono]-6-nitro-4-oxo-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: (3E)-3-[[6-methyl-3-[3-(4-nitrophenyl)propyl]-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]hydrazinylidene]-6-nitro-4-oxo-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: (3E)-3-[[6-methyl-3-[3-(4-nitrophenyl)propyl]-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]hydrazinylidene]-6-nitro-4-oxocyclohexa-1,5-diene-1-carboxylic acid Traditional Name: (3E)-4-keto-3-[[6-methyl-3-[3-(4-nitrophenyl)propyl]-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl]hydrazono]-6-nitro-cyclohexa-1,5-diene-1-carboxylic acid Formula: C21H18N8O7 MolecularWeight: 494.41702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NN=C(N2N1)CCCC3=CC=C(C=C3)[N+](=O)[O-])NN=C4C=C(C(=CC4=O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C2=NN=C(N2N1)CCCC3=CC=C(C=C3)[N+](=O)[O-])N/N=C/4\C=C(C(=CC4=O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H18N8O7/c1-11-19(24-22-15-9-14(21(31)32)16(29(35)36)10-17(15)30)20-25-23-18(27(20)26-11)4-2-3-12-5-7-13(8-6-12)28(33)34/h5-10,24,26H,2-4H2,1H3,(H,31,32)/b22-15+