N-(4-cyano-2,5-dimethyl-pyrazol-3-yl)-5-nitro-N-(5-nitro-2-propoxy-phenyl)carbonyl-2-propoxy-benzamide

Systemtic Name: N-(4-cyano-2,5-dimethyl-pyrazol-3-yl)-5-nitro-N-(5-nitro-2-propoxy-phenyl)carbonyl-2-propoxy-benzamide Openeye Name: N-(4-cyano-2,5-dimethyl-pyrazol-3-yl)-5-nitro-N-(5-nitro-2-propoxy-benzoyl)-2-propoxy-benzamide CAS Name: N-(4-cyano-2,5-dimethyl-3-pyrazolyl)-5-nitro-N-[(5-nitro-2-propoxyphenyl)-oxomethyl]-2-propoxybenzamide IUPAC Name: N-(4-cyano-2,5-dimethylpyrazol-3-yl)-5-nitro-N-(5-nitro-2-propoxybenzoyl)-2-propoxybenzamide Traditional Name: N-(4-cyano-2,5-dimethyl-pyrazol-3-yl)-5-nitro-N-(5-nitro-2-propoxy-benzoyl)-2-propoxy-benzamide Formula: C26H26N6O8 MolecularWeight: 550.52004

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N(C2=C(C(=NN2C)C)C#N)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N(C2=C(C(=NN2C)C)C#N)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OCCC

InChI

InChI=1S/C26H26N6O8/c1-5-11-39-22-9-7-17(31(35)36)13-19(22)25(33)30(24-21(15-27)16(3)28-29(24)4)26(34)20-14-18(32(37)38)8-10-23(20)40-12-6-2/h7-10,13-14H,5-6,11-12H2,1-4H3