4-chloranyl-3-nitro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide

Systemtic Name: 4-chloranyl-3-nitro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide Openeye Name: 4-chloro-3-nitro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide CAS Name: 4-chloro-3-nitro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide IUPAC Name: 4-chloro-3-nitro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide Traditional Name: 4-chloro-3-nitro-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)benzamide Formula: C23H23ClN4O3 MolecularWeight: 438.90672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(CC(C2)(C)C)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C(CC(C2)(C)C)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H23ClN4O3/c1-14-21-18(25-22(29)15-9-10-17(24)19(11-15)28(30)31)12-23(2,3)13-20(21)27(26-14)16-7-5-4-6-8-16/h4-11,18H,12-13H2,1-3H3,(H,25,29)