N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-1-[(4-isopropylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-1-[(4-propan-2-ylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-1-[(4-isopropylphenoxy)methyl]pyrazole-3-carboxamide Formula: C27H25ClN4O5 MolecularWeight: 520.9642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)COC4=CC=C(C=C4)C(C)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=NN(C=C3)COC4=CC=C(C=C4)C(C)C)Cl

InChI

InChI=1S/C27H25ClN4O5/c1-17(2)19-4-6-22(7-5-19)36-16-31-11-10-26(30-31)27(33)29-20-13-21(32(34)35)15-24(14-20)37-23-8-9-25(28)18(3)12-23/h4-15,17H,16H2,1-3H3,(H,29,33)