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

Systemtic Name: N-[5-[(3-methoxyphenyl)methyl-oxidanyl-amino]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]-4-nitro-benzamide Openeye Name: N-[4-[hydroxy-[(3-methoxyphenyl)methyl]amino]-1-(hydroxymethyl)-4-oxo-butyl]-4-nitro-benzamide CAS Name: N-[1-hydroxy-5-[hydroxy-[(3-methoxyphenyl)methyl]amino]-5-oxopentan-2-yl]-4-nitrobenzamide IUPAC Name: N-[1-hydroxy-5-[hydroxy-[(3-methoxyphenyl)methyl]amino]-5-oxopentan-2-yl]-4-nitrobenzamide Traditional Name: N-[4-[hydroxy(m-anisyl)amino]-4-keto-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)CN(C(=O)CCC(CO)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC=CC(=C1)CN(C(=O)CCC(CO)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

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