N-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-2-chloranyl-4-nitro-benzamide

Systemtic Name: N-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-2-chloro-4-nitro-benzamide CAS Name: N-[5-tert-butyl-2-(4-nitrophenyl)-3-pyrazolyl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-2-chloro-4-nitrobenzamide Traditional Name: N-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-2-chloro-4-nitro-benzamide Formula: C20H18ClN5O5 MolecularWeight: 443.84042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN5O5/c1-20(2,3)17-11-18(24(23-17)12-4-6-13(7-5-12)25(28)29)22-19(27)15-9-8-14(26(30)31)10-16(15)21/h4-11H,1-3H3,(H,22,27)