N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Formula: C21H18N6O4 MolecularWeight: 418.40542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NNC(=C1[N+](=O)[O-])C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=NNC(=C1[N+](=O)[O-])C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N6O4/c1-31-21-19(27(29)30)18(23-24-21)20(28)22-12-15-13-26(16-10-6-3-7-11-16)25-17(15)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,22,28)(H,23,24)