N-(1-azanyl-1-oxidanylidene-butan-2-yl)-3-(4-chloranylphenoxy)-4,5-bis(oxidanyl)cyclohexene-1-carboxamide

Systemtic Name: N-(1-azanyl-1-oxidanylidene-butan-2-yl)-3-(4-chloranylphenoxy)-4,5-bis(oxidanyl)cyclohexene-1-carboxamide Openeye Name: N-(1-carbamoylpropyl)-3-(4-chlorophenoxy)-4,5-dihydroxy-cyclohexene-1-carboxamide CAS Name: N-(1-amino-1-oxobutan-2-yl)-3-(4-chlorophenoxy)-4,5-dihydroxy-1-cyclohexenecarboxamide IUPAC Name: N-(1-amino-1-oxobutan-2-yl)-3-(4-chlorophenoxy)-4,5-dihydroxycyclohexene-1-carboxamide Traditional Name: N-(1-carbamoylpropyl)-3-(4-chlorophenoxy)-4,5-dihydroxy-cyclohexene-1-carboxamide Formula: C17H21ClN2O5 MolecularWeight: 368.81204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)NC(=O)C1=CC(C(C(C1)O)O)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(C(=O)N)NC(=O)C1=CC(C(C(C1)O)O)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H21ClN2O5/c1-2-12(16(19)23)20-17(24)9-7-13(21)15(22)14(8-9)25-11-5-3-10(18)4-6-11/h3-6,8,12-15,21-22H,2,7H2,1H3,(H2,19,23)(H,20,24)