N-[4-[(3-methoxyphenyl)methyl]-1-oxidanyl-5-(oxidanylamino)-5-oxidanylidene-pentan-2-yl]-4-nitro-benzamide

Systemtic Name: N-[4-[(3-methoxyphenyl)methyl]-1-oxidanyl-5-(oxidanylamino)-5-oxidanylidene-pentan-2-yl]-4-nitro-benzamide Openeye Name: N-[4-(hydroxyamino)-1-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]-4-oxo-butyl]-4-nitro-benzamide CAS Name: N-[1-hydroxy-5-(hydroxyamino)-4-[(3-methoxyphenyl)methyl]-5-oxopentan-2-yl]-4-nitrobenzamide IUPAC Name: N-[1-hydroxy-5-(hydroxyamino)-4-[(3-methoxyphenyl)methyl]-5-oxopentan-2-yl]-4-nitrobenzamide Traditional Name: N-[4-(hydroxyamino)-4-keto-3-m-anisyl-1-methylol-butyl]-4-nitro-benzamide Formula: C20H23N3O7 MolecularWeight: 417.41252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC(CC(CO)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NO

Isomeric SMILES

COC1=CC=CC(=C1)CC(CC(CO)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NO

InChI

InChI=1S/C20H23N3O7/c1-30-18-4-2-3-13(10-18)9-15(20(26)22-27)11-16(12-24)21-19(25)14-5-7-17(8-6-14)23(28)29/h2-8,10,15-16,24,27H,9,11-12H2,1H3,(H,21,25)(H,22,26)