(E)-2-cyano-3-[3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-[3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]prop-2-enoic acid Openeye Name: (E)-3-(4-tert-butoxycarbonyloxy-3-methoxy-phenyl)-2-cyano-prop-2-enoic acid CAS Name: (E)-2-cyano-3-[3-methoxy-4-[(2-methylpropan-2-yl)oxy-oxomethoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-[3-methoxy-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]prop-2-enoic acid Traditional Name: (E)-3-(4-tert-butoxycarbonyloxy-3-methoxy-phenyl)-2-cyano-acrylic acid Formula: C16H17NO6 MolecularWeight: 319.30928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)O)OC

Isomeric SMILES

CC(C)(C)OC(=O)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)O)OC

InChI

InChI=1S/C16H17NO6/c1-16(2,3)23-15(20)22-12-6-5-10(8-13(12)21-4)7-11(9-17)14(18)19/h5-8H,1-4H3,(H,18,19)/b11-7+