N-(4-nitro-2-oxidanyl-phenyl)-1-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(4-nitro-2-oxidanyl-phenyl)-1-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-hydroxy-4-nitro-phenyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide CAS Name: N-(2-hydroxy-4-nitrophenyl)-1-[(5-phenyl-2-tetrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-hydroxy-4-nitrophenyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-hydroxy-4-nitro-phenyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide Formula: C18H14N8O4 MolecularWeight: 406.35496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(N=N2)CN3C=CC(=N3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(N=N2)CN3C=CC(=N3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C18H14N8O4/c27-16-10-13(26(29)30)6-7-14(16)19-18(28)15-8-9-24(21-15)11-25-22-17(20-23-25)12-4-2-1-3-5-12/h1-10,27H,11H2,(H,19,28)