N-[1-(ethoxymethoxy)-4-(oxidanylcarbamoyl)hept-6-yn-2-yl]-4-nitro-benzamide

Systemtic Name: N-[1-(ethoxymethoxy)-4-(oxidanylcarbamoyl)hept-6-yn-2-yl]-4-nitro-benzamide Openeye Name: N-[1-(ethoxymethoxymethyl)-3-(hydroxycarbamoyl)hex-5-ynyl]-4-nitro-benzamide CAS Name: N-[1-(ethoxymethoxy)-4-[(hydroxyamino)-oxomethyl]hept-6-yn-2-yl]-4-nitrobenzamide IUPAC Name: N-[1-(ethoxymethoxy)-4-(hydroxycarbamoyl)hept-6-yn-2-yl]-4-nitrobenzamide Traditional Name: N-[1-(ethoxymethoxymethyl)-3-(hydroxycarbamoyl)hex-5-ynyl]-4-nitro-benzamide Formula: C18H23N3O7 MolecularWeight: 393.39112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O7/c1-3-5-14(18(23)20-24)10-15(11-28-12-27-4-2)19-17(22)13-6-8-16(9-7-13)21(25)26/h1,6-9,14-15,24H,4-5,10-12H2,2H3,(H,19,22)(H,20,23)