2-[1,3-bis(oxidanyl)butan-2-ylamino]-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-5-nitro-benzamide

Systemtic Name: 2-[1,3-bis(oxidanyl)butan-2-ylamino]-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-5-nitro-benzamide Openeye Name: N-[(3-fluoro-4-methoxy-phenyl)methyl]-2-[[2-hydroxy-1-(hydroxymethyl)propyl]amino]-5-nitro-benzamide CAS Name: 2-(1,3-dihydroxybutan-2-ylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-nitrobenzamide IUPAC Name: 2-(1,3-dihydroxybutan-2-ylamino)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-nitrobenzamide Traditional Name: N-(3-fluoro-4-methoxy-benzyl)-2-[(2-hydroxy-1-methylol-propyl)amino]-5-nitro-benzamide Formula: C19H22FN3O6 MolecularWeight: 407.392883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CO)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC(=C(C=C2)OC)F)O

Isomeric SMILES

CC(C(CO)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CC(=C(C=C2)OC)F)O

InChI

InChI=1S/C19H22FN3O6/c1-11(25)17(10-24)22-16-5-4-13(23(27)28)8-14(16)19(26)21-9-12-3-6-18(29-2)15(20)7-12/h3-8,11,17,22,24-25H,9-10H2,1-2H3,(H,21,26)