sodium 2-methyl-3-oxidanylidene-8-(phenylmethyl)-4-oxa-8-azaspiro[4.5]dec-1-ene-1-carboxylate

Systemtic Name: sodium 2-methyl-3-oxidanylidene-8-(phenylmethyl)-4-oxa-8-azaspiro[4.5]dec-1-ene-1-carboxylate Openeye Name: sodium 8-benzyl-2-methyl-3-oxo-4-oxa-8-azaspiro[4.5]dec-1-ene-1-carboxylate CAS Name: sodium 2-methyl-3-oxo-8-(phenylmethyl)-4-oxa-8-azaspiro[4.5]dec-1-ene-1-carboxylate IUPAC Name: sodium 8-benzyl-2-methyl-3-oxo-4-oxa-8-azaspiro[4.5]dec-1-ene-1-carboxylate Traditional Name: sodium 8-benzyl-3-keto-2-methyl-4-oxa-8-azaspiro[4.5]dec-1-ene-1-carboxylate Formula: C17H18NNaO4 MolecularWeight: 323.31889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2(CCN(CC2)CC3=CC=CC=C3)OC1=O)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C2(CCN(CC2)CC3=CC=CC=C3)OC1=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H19NO4.Na/c1-12-14(15(19)20)17(22-16(12)21)7-9-18(10-8-17)11-13-5-3-2-4-6-13;/h2-6H,7-11H2,1H3,(H,19,20);/q;+1/p-1