N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-N-methyl-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-methyl-acetamide Formula: C27H23N5O5 MolecularWeight: 497.50202

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CN4C(=O)COC5=C4C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CN4C(=O)COC5=C4C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H23N5O5/c1-29(25(33)17-30-23-14-22(32(35)36)12-13-24(23)37-18-26(30)34)15-20-16-31(21-10-6-3-7-11-21)28-27(20)19-8-4-2-5-9-19/h2-14,16H,15,17-18H2,1H3