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

Systemtic Name: 4-methyl-N-(3-methylbutyl)-3-nitro-N-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]benzamide Openeye Name: N-isopentyl-N-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-(3-isoxazolylamino)-2-oxoethyl]-4-methyl-N-(3-methylbutyl)-3-nitrobenzamide IUPAC Name: 4-methyl-N-(3-methylbutyl)-3-nitro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide Traditional Name: N-isoamyl-N-[2-(isoxazol-3-ylamino)-2-keto-ethyl]-4-methyl-3-nitro-benzamide Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CCC(C)C)CC(=O)NC2=NOC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CCC(C)C)CC(=O)NC2=NOC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5/c1-12(2)6-8-21(11-17(23)19-16-7-9-27-20-16)18(24)14-5-4-13(3)15(10-14)22(25)26/h4-5,7,9-10,12H,6,8,11H2,1-3H3,(H,19,20,23)