N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[1-[(3-chlorophenyl)methyl]-3-pyrazolyl]-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[1-(3-chlorobenzyl)pyrazol-3-yl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C21H17ClN6O4 MolecularWeight: 452.85048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])OCN2C=CC(=N2)C(=O)NC3=NN(C=C3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])OCN2C=CC(=N2)C(=O)NC3=NN(C=C3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H17ClN6O4/c22-16-5-3-4-15(12-16)13-26-11-9-20(25-26)23-21(29)17-8-10-27(24-17)14-32-19-7-2-1-6-18(19)28(30)31/h1-12H,13-14H2,(H,23,25,29)