N-butyl-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-butyl-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-butyl-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-butyl-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-butyl-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-butyl-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=NN(C=C1)COC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)C1=NN(C=C1)COC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O4/c1-2-3-9-16-15(20)12-8-10-18(17-12)11-23-14-7-5-4-6-13(14)19(21)22/h4-8,10H,2-3,9,11H2,1H3,(H,16,20)