5-[2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxy-benzoic acid Openeye Name: 5-[3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-benzoic acid CAS Name: 5-[2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxybenzoic acid IUPAC Name: 5-[3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxybenzoic acid Traditional Name: 5-[3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-benzoic acid Formula: C19H16N2O4 MolecularWeight: 336.34134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)C(=O)O

InChI

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