sodium methyl (Z)-3-[(2-cyclohexa-1,4-dien-1-yloxy-2-oxidanylidene-1-phenyl-ethyl)amino]but-2-enoate

Systemtic Name: sodium methyl (Z)-3-[(2-cyclohexa-1,4-dien-1-yloxy-2-oxidanylidene-1-phenyl-ethyl)amino]but-2-enoate Openeye Name: sodium methyl (Z)-3-[(2-cyclohexa-1,4-dien-1-yloxy-2-oxo-1-phenyl-ethyl)amino]but-2-enoate CAS Name: sodium (Z)-3-[[2-(1-cyclohexa-1,4-dienyloxy)-2-oxo-1-phenylethyl]amino]-2-butenoic acid methyl ester IUPAC Name: sodium methyl (Z)-3-[(2-cyclohexa-1,4-dien-1-yloxy-2-oxo-1-phenylethyl)amino]but-2-enoate Traditional Name: sodium (Z)-3-[(2-cyclohexa-1,4-dien-1-yloxy-2-keto-1-phenyl-ethyl)amino]but-2-enoic acid methyl ester Formula: C19H21NNaO4+ MolecularWeight: 350.36411

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC)NC(C1=CC=CC=C1)C(=O)OC2=CCC=CC2.[Na+]

Isomeric SMILES

C/C(=C/C(=O)OC)/NC(C1=CC=CC=C1)C(=O)OC2=CCC=CC2.[Na+]

InChI

InChI=1S/C19H21NO4.Na/c1-14(13-17(21)23-2)20-18(15-9-5-3-6-10-15)19(22)24-16-11-7-4-8-12-16;/h3-7,9-10,12-13,18,20H,8,11H2,1-2H3;/q;+1/b14-13-;