4-[(Z)-2-cyano-3-oxidanylidene-3-(oxolan-2-ylmethylamino)prop-1-enyl]benzoic acid

Systemtic Name: 4-[(Z)-2-cyano-3-oxidanylidene-3-(oxolan-2-ylmethylamino)prop-1-enyl]benzoic acid Openeye Name: 4-[(Z)-2-cyano-3-oxo-3-(tetrahydrofuran-2-ylmethylamino)prop-1-enyl]benzoic acid CAS Name: 4-[(Z)-2-cyano-3-oxo-3-(2-oxolanylmethylamino)prop-1-enyl]benzoic acid IUPAC Name: 4-[(Z)-2-cyano-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-enyl]benzoic acid Traditional Name: 4-[(Z)-2-cyano-3-keto-3-(tetrahydrofurfurylamino)prop-1-enyl]benzoic acid Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

C1CC(OC1)CNC(=O)/C(=C\C2=CC=C(C=C2)C(=O)O)/C#N

InChI

InChI=1S/C16H16N2O4/c17-9-13(15(19)18-10-14-2-1-7-22-14)8-11-3-5-12(6-4-11)16(20)21/h3-6,8,14H,1-2,7,10H2,(H,18,19)(H,20,21)/b13-8-