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

Systemtic Name: N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[3-(1,3-dioxan-2-yl)phenyl]-2-methyl-4-nitro-pyrazole-3-carboxamide Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)C3OCCCO3

Isomeric SMILES

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)C3OCCCO3

InChI

InChI=1S/C15H16N4O5/c1-18-13(12(9-16-18)19(21)22)14(20)17-11-5-2-4-10(8-11)15-23-6-3-7-24-15/h2,4-5,8-9,15H,3,6-7H2,1H3,(H,17,20)