1-[(2-nitrophenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 1-[(2-nitrophenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 1-[(2-nitrophenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide CAS Name: 1-[(2-nitrophenoxy)methyl]-N-[3-(1-pyrazolylmethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 1-[(2-nitrophenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 1-[(2-nitrophenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide Formula: C21H18N6O4 MolecularWeight: 418.40542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])OCN2C=CC(=N2)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])OCN2C=CC(=N2)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4

InChI

InChI=1S/C21H18N6O4/c28-21(23-17-6-3-5-16(13-17)14-25-11-4-10-22-25)18-9-12-26(24-18)15-31-20-8-2-1-7-19(20)27(29)30/h1-13H,14-15H2,(H,23,28)