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

Systemtic Name: N-methyl-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]ethanamide Openeye Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-methyl-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]acetamide IUPAC Name: N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[(1-benzylpyrazol-4-yl)methyl]-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-methyl-acetamide Formula: C22H21N5O5 MolecularWeight: 435.43264

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)CN3C(=O)COC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O5/c1-24(11-17-10-23-25(13-17)12-16-5-3-2-4-6-16)21(28)14-26-19-9-18(27(30)31)7-8-20(19)32-15-22(26)29/h2-10,13H,11-12,14-15H2,1H3