(4-pyrazol-1-ylphenyl)methyl 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetic acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H16N4O6 MolecularWeight: 408.36424

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H16N4O6/c25-19-13-29-18-7-6-16(24(27)28)10-17(18)22(19)11-20(26)30-12-14-2-4-15(5-3-14)23-9-1-8-21-23/h1-10H,11-13H2