3-[[4-[(Z)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[4-[(Z)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[(Z)-2-cyano-3-(methylamino)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[(Z)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[(Z)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[(Z)-2-cyano-3-keto-3-(methylamino)prop-1-enyl]phenoxy]methyl]benzoic acid Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(=CC1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)O)C#N

Isomeric SMILES

CNC(=O)/C(=C\C1=CC=C(C=C1)OCC2=CC=CC(=C2)C(=O)O)/C#N

InChI

InChI=1S/C19H16N2O4/c1-21-18(22)16(11-20)9-13-5-7-17(8-6-13)25-12-14-3-2-4-15(10-14)19(23)24/h2-10H,12H2,1H3,(H,21,22)(H,23,24)/b16-9-