(6S)-2-[(Z)-N-ethoxy-C-propyl-carbonimidoyl]-5,5-dimethyl-6-(3-methyl-1,2-oxazol-5-yl)-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: (6S)-2-[(Z)-N-ethoxy-C-propyl-carbonimidoyl]-5,5-dimethyl-6-(3-methyl-1,2-oxazol-5-yl)-3-oxidanylidene-cyclohexen-1-olate Openeye Name: (6S)-2-[(Z)-N-ethoxy-C-propyl-carbonimidoyl]-5,5-dimethyl-6-(3-methylisoxazol-5-yl)-3-oxo-cyclohexen-1-olate CAS Name: (6S)-2-[(1Z)-1-ethoxyiminobutyl]-5,5-dimethyl-6-(3-methyl-5-isoxazolyl)-3-oxo-1-cyclohexenolate IUPAC Name: (6S)-2-[(Z)-N-ethoxy-C-propylcarbonimidoyl]-5,5-dimethyl-6-(3-methyl-1,2-oxazol-5-yl)-3-oxocyclohexen-1-olate Traditional Name: (6S)-2-[(Z)-N-ethoxy-C-propyl-carbonimidoyl]-3-keto-5,5-dimethyl-6-(3-methylisoxazol-5-yl)cyclohexen-1-olate Formula: C18H25N2O4- MolecularWeight: 333.4021

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NOCC)C1=C(C(C(CC1=O)(C)C)C2=CC(=NO2)C)[O-]

Isomeric SMILES

CCC/C(=N/OCC)/C1=C([C@H](C(CC1=O)(C)C)C2=CC(=NO2)C)[O-]

InChI

InChI=1S/C18H26N2O4/c1-6-8-12(20-23-7-2)15-13(21)10-18(4,5)16(17(15)22)14-9-11(3)19-24-14/h9,16,22H,6-8,10H2,1-5H3/p-1/b20-12-/t16-/m1/s1