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

Systemtic Name: N-(3-methoxy-5-nitro-phenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(3-methoxy-5-nitro-phenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-(3-methoxy-5-nitrophenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(3-methoxy-5-nitrophenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(3-methoxy-5-nitro-phenyl)-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C14H12N8O6 MolecularWeight: 388.29508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=NN(C=C2)CN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N8O6/c1-28-11-5-9(4-10(6-11)21(24)25)16-13(23)12-2-3-19(17-12)8-20-7-15-14(18-20)22(26)27/h2-7H,8H2,1H3,(H,16,23)