4-nitro-N-[3,4,4,5-tetramethyl-2-(4-nitrophenyl)carbonyl-pyrazol-3-yl]imino-benzamide

Systemtic Name: 4-nitro-N-[3,4,4,5-tetramethyl-2-(4-nitrophenyl)carbonyl-pyrazol-3-yl]imino-benzamide Openeye Name: 4-nitro-N-[3,4,4,5-tetramethyl-2-(4-nitrobenzoyl)pyrazol-3-yl]imino-benzamide CAS Name: 4-nitro-N-[[3,4,4,5-tetramethyl-2-[(4-nitrophenyl)-oxomethyl]-3-pyrazolyl]imino]benzamide IUPAC Name: 4-nitro-N-[3,4,4,5-tetramethyl-2-(4-nitrobenzoyl)pyrazol-3-yl]iminobenzamide Traditional Name: 4-nitro-N-[[3,4,4,5-tetramethyl-2-(4-nitrobenzoyl)-2-pyrazolin-3-yl]imino]benzamide Formula: C21H20N6O6 MolecularWeight: 452.4201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1(C)C)(C)N=NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(C1(C)C)(C)N=NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O6/c1-13-20(2,3)21(4,24-22-18(28)14-5-9-16(10-6-14)26(30)31)25(23-13)19(29)15-7-11-17(12-8-15)27(32)33/h5-12H,1-4H3