2-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-[(4-propoxyphenyl)carbonylamino]phenolate

Systemtic Name: 2-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-[(4-propoxyphenyl)carbonylamino]phenolate Openeye Name: 2-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-[(4-propoxybenzoyl)amino]phenolate CAS Name: 2-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-[[oxo-(4-propoxyphenyl)methyl]amino]phenolate IUPAC Name: 2-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-[(4-propoxybenzoyl)amino]phenolate Traditional Name: 2-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-[(4-propoxybenzoyl)amino]phenolate Formula: C25H23N2O4- MolecularWeight: 415.46112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)[O-])C3=NC4=C(O3)C=C(C(=C4)C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)[O-])C3=NC4=C(O3)C=C(C(=C4)C)C

InChI

InChI=1S/C25H24N2O4/c1-4-11-30-19-8-5-17(6-9-19)24(29)26-18-7-10-22(28)20(14-18)25-27-21-12-15(2)16(3)13-23(21)31-25/h5-10,12-14,28H,4,11H2,1-3H3,(H,26,29)/p-1