N-[(2S)-1-(ethoxymethoxy)-5-(oxidanylamino)-5-oxidanylidene-2-(prop-2-ynoxymethyl)pentan-2-yl]-4-nitro-benzamide

Systemtic Name: N-[(2S)-1-(ethoxymethoxy)-5-(oxidanylamino)-5-oxidanylidene-2-(prop-2-ynoxymethyl)pentan-2-yl]-4-nitro-benzamide Openeye Name: N-[(1S)-1-(ethoxymethoxymethyl)-4-(hydroxyamino)-4-oxo-1-(prop-2-ynoxymethyl)butyl]-4-nitro-benzamide CAS Name: N-[(2S)-1-(ethoxymethoxy)-5-(hydroxyamino)-5-oxo-2-(prop-2-ynoxymethyl)pentan-2-yl]-4-nitrobenzamide IUPAC Name: N-[(2S)-1-(ethoxymethoxy)-5-(hydroxyamino)-5-oxo-2-(prop-2-ynoxymethyl)pentan-2-yl]-4-nitrobenzamide Traditional Name: N-[(1S)-1-(ethoxymethoxymethyl)-4-(hydroxyamino)-4-keto-1-(propargyloxymethyl)butyl]-4-nitro-benzamide Formula: C19H25N3O8 MolecularWeight: 423.4171

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Descriptors Computed from Structure

Canonical SMILES:

CCOCOCC(CCC(=O)NO)(COCC#C)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCOCOC[C@](CCC(=O)NO)(COCC#C)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O8/c1-3-11-29-12-19(10-9-17(23)21-25,13-30-14-28-4-2)20-18(24)15-5-7-16(8-6-15)22(26)27/h1,5-8,25H,4,9-14H2,2H3,(H,20,24)(H,21,23)/t19-/m0/s1