N-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-[(4-nitrophenoxy)methyl]benzamide

Systemtic Name: N-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]-3-[(4-nitrophenoxy)methyl]benzamide Openeye Name: N-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-3-[(4-nitrophenoxy)methyl]benzamide CAS Name: N-[3-(4-chloro-3,5-dimethyl-1-pyrazolyl)propyl]-3-[(4-nitrophenoxy)methyl]benzamide IUPAC Name: N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(4-nitrophenoxy)methyl]benzamide Traditional Name: N-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-3-[(4-nitrophenoxy)methyl]benzamide Formula: C22H23ClN4O4 MolecularWeight: 442.89542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNC(=O)C2=CC(=CC=C2)COC3=CC=C(C=C3)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C(=NN1CCCNC(=O)C2=CC(=CC=C2)COC3=CC=C(C=C3)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C22H23ClN4O4/c1-15-21(23)16(2)26(25-15)12-4-11-24-22(28)18-6-3-5-17(13-18)14-31-20-9-7-19(8-10-20)27(29)30/h3,5-10,13H,4,11-12,14H2,1-2H3,(H,24,28)