N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-benzyl-4-chloro-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)CN2C=C(C(=N2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4[N+](=O)[O-])Cl

InChI

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