(2R)-2-cyclohexa-1,4-dien-1-yl-2-[(4-methoxy-4-oxidanylidene-butan-2-ylidene)amino]ethanoic acid

Systemtic Name: (2R)-2-cyclohexa-1,4-dien-1-yl-2-[(4-methoxy-4-oxidanylidene-butan-2-ylidene)amino]ethanoic acid Openeye Name: (2R)-2-cyclohexa-1,4-dien-1-yl-2-[(3-methoxy-1-methyl-3-oxo-propylidene)amino]acetic acid CAS Name: (2R)-2-(1-cyclohexa-1,4-dienyl)-2-[(4-methoxy-4-oxobutan-2-ylidene)amino]acetic acid IUPAC Name: (2R)-2-cyclohexa-1,4-dien-1-yl-2-[(4-methoxy-4-oxobutan-2-ylidene)amino]acetic acid Traditional Name: (2R)-2-cyclohexa-1,4-dien-1-yl-2-[(3-keto-3-methoxy-1-methyl-propylidene)amino]acetic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC(C1=CCC=CC1)C(=O)O)CC(=O)OC

Isomeric SMILES

CC(=N[C@H](C1=CCC=CC1)C(=O)O)CC(=O)OC

InChI

InChI=1S/C13H17NO4/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10/h3-4,7,12H,5-6,8H2,1-2H3,(H,16,17)/t12-/m1/s1