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

Systemtic Name: N-(1-azanyl-1-oxidanylidene-propan-2-yl)-3-(3-ethynylphenoxy)-4,5-bis(oxidanyl)cyclohexene-1-carboxamide Openeye Name: N-(2-amino-1-methyl-2-oxo-ethyl)-3-(3-ethynylphenoxy)-4,5-dihydroxy-cyclohexene-1-carboxamide CAS Name: N-(1-amino-1-oxopropan-2-yl)-3-(3-ethynylphenoxy)-4,5-dihydroxy-1-cyclohexenecarboxamide IUPAC Name: N-(1-amino-1-oxopropan-2-yl)-3-(3-ethynylphenoxy)-4,5-dihydroxycyclohexene-1-carboxamide Traditional Name: N-(2-amino-2-keto-1-methyl-ethyl)-3-(3-ethynylphenoxy)-4,5-dihydroxy-cyclohexene-1-carboxamide Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)C1=CC(C(C(C1)O)O)OC2=CC=CC(=C2)C#C

Isomeric SMILES

CC(C(=O)N)NC(=O)C1=CC(C(C(C1)O)O)OC2=CC=CC(=C2)C#C

InChI

InChI=1S/C18H20N2O5/c1-3-11-5-4-6-13(7-11)25-15-9-12(8-14(21)16(15)22)18(24)20-10(2)17(19)23/h1,4-7,9-10,14-16,21-22H,8H2,2H3,(H2,19,23)(H,20,24)