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

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

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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=NC=CN3CC4=CC=CC=C4

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)NCCC3=NC=CN3CC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O5/c28-21(14-26-18-12-17(27(30)31)6-7-19(18)32-15-22(26)29)24-9-8-20-23-10-11-25(20)13-16-4-2-1-3-5-16/h1-7,10-12H,8-9,13-15H2,(H,24,28)