N-(3-azanyl-3-oxidanylidene-propyl)-3-(2-bromanyl-4-cyano-phenoxy)-4,5-bis(oxidanyl)cyclohexene-1-carboxamide

Systemtic Name: N-(3-azanyl-3-oxidanylidene-propyl)-3-(2-bromanyl-4-cyano-phenoxy)-4,5-bis(oxidanyl)cyclohexene-1-carboxamide Openeye Name: N-(3-amino-3-oxo-propyl)-3-(2-bromo-4-cyano-phenoxy)-4,5-dihydroxy-cyclohexene-1-carboxamide CAS Name: N-(3-amino-3-oxopropyl)-3-(2-bromo-4-cyanophenoxy)-4,5-dihydroxy-1-cyclohexenecarboxamide IUPAC Name: N-(3-amino-3-oxopropyl)-3-(2-bromo-4-cyanophenoxy)-4,5-dihydroxycyclohexene-1-carboxamide Traditional Name: N-(3-amino-3-keto-propyl)-3-(2-bromo-4-cyano-phenoxy)-4,5-dihydroxy-cyclohexene-1-carboxamide Formula: C17H18BrN3O5 MolecularWeight: 424.24592

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C=C1C(=O)NCCC(=O)N)OC2=C(C=C(C=C2)C#N)Br)O)O

Isomeric SMILES

C1C(C(C(C=C1C(=O)NCCC(=O)N)OC2=C(C=C(C=C2)C#N)Br)O)O

InChI

InChI=1S/C17H18BrN3O5/c18-11-5-9(8-19)1-2-13(11)26-14-7-10(6-12(22)16(14)24)17(25)21-4-3-15(20)23/h1-2,5,7,12,14,16,22,24H,3-4,6H2,(H2,20,23)(H,21,25)