4-[4-nitro-3-[1-(4-nitrophenyl)pyrazol-4-yl]pyrazol-1-yl]butanoate

Systemtic Name: 4-[4-nitro-3-[1-(4-nitrophenyl)pyrazol-4-yl]pyrazol-1-yl]butanoate Openeye Name: 4-[4-nitro-3-[1-(4-nitrophenyl)pyrazol-4-yl]pyrazol-1-yl]butanoate CAS Name: 4-[4-nitro-3-[1-(4-nitrophenyl)-4-pyrazolyl]-1-pyrazolyl]butanoate IUPAC Name: 4-[4-nitro-3-[1-(4-nitrophenyl)pyrazol-4-yl]pyrazol-1-yl]butanoate Traditional Name: 4-[4-nitro-3-[1-(4-nitrophenyl)pyrazol-4-yl]pyrazol-1-yl]butyrate Formula: C16H13N6O6- MolecularWeight: 385.31102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=C(C=N2)C3=NN(C=C3[N+](=O)[O-])CCCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C=C(C=N2)C3=NN(C=C3[N+](=O)[O-])CCCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O6/c23-15(24)2-1-7-19-10-14(22(27)28)16(18-19)11-8-17-20(9-11)12-3-5-13(6-4-12)21(25)26/h3-6,8-10H,1-2,7H2,(H,23,24)/p-1