2-[[(E)-2-cyano-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-prop-1-enyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-tert-butoxy-2-cyano-3-oxo-prop-1-enyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-tert-butoxy-2-cyano-3-keto-prop-1-enyl]amino]benzoic acid Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=CNC1=CC=CC=C1C(=O)O)C#N

Isomeric SMILES

CC(C)(C)OC(=O)/C(=C/NC1=CC=CC=C1C(=O)O)/C#N

InChI

InChI=1S/C15H16N2O4/c1-15(2,3)21-14(20)10(8-16)9-17-12-7-5-4-6-11(12)13(18)19/h4-7,9,17H,1-3H3,(H,18,19)/b10-9+