3-nitro-N-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-N-pentyl-benzamide

Systemtic Name: 3-nitro-N-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-N-pentyl-benzamide Openeye Name: N-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]-3-nitro-N-pentyl-benzamide CAS Name: N-[2-(3-isoxazolylamino)-2-oxoethyl]-3-nitro-N-pentylbenzamide IUPAC Name: 3-nitro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-pentylbenzamide Traditional Name: N-amyl-N-[2-(isoxazol-3-ylamino)-2-keto-ethyl]-3-nitro-benzamide Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)NC1=NOC=C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(CC(=O)NC1=NOC=C1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5/c1-2-3-4-9-20(12-16(22)18-15-8-10-26-19-15)17(23)13-6-5-7-14(11-13)21(24)25/h5-8,10-11H,2-4,9,12H2,1H3,(H,18,19,22)