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

Systemtic Name: N-[5-[(3-methoxyphenyl)methyl-oxidanyl-amino]-1-oxidanyl-5-oxidanylidene-pentan-2-yl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[4-[hydroxy-[(3-methoxyphenyl)methyl]amino]-1-(hydroxymethyl)-4-oxo-butyl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[1-hydroxy-5-[hydroxy-[(3-methoxyphenyl)methyl]amino]-5-oxopentan-2-yl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[1-hydroxy-5-[hydroxy-[(3-methoxyphenyl)methyl]amino]-5-oxopentan-2-yl]-5-nitrothiophene-2-carboxamide Traditional Name: N-[4-[hydroxy(m-anisyl)amino]-4-keto-1-methylol-butyl]-5-nitro-thiophene-2-carboxamide Formula: C18H21N3O7S MolecularWeight: 423.44024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(C(=O)CCC(CO)NC(=O)C2=CC=C(S2)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC=CC(=C1)CN(C(=O)CCC(CO)NC(=O)C2=CC=C(S2)[N+](=O)[O-])O

InChI

InChI=1S/C18H21N3O7S/c1-28-14-4-2-3-12(9-14)10-20(25)16(23)7-5-13(11-22)19-18(24)15-6-8-17(29-15)21(26)27/h2-4,6,8-9,13,22,25H,5,7,10-11H2,1H3,(H,19,24)