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

Systemtic Name: 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamide Openeye Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]acetamide IUPAC Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide Formula: C21H19N5O5 MolecularWeight: 421.40606

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)NCCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)NCCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H19N5O5/c27-20(22-10-8-15-2-4-16(5-3-15)25-11-1-9-23-25)13-24-18-12-17(26(29)30)6-7-19(18)31-14-21(24)28/h1-7,9,11-12H,8,10,13-14H2,(H,22,27)