1,2-benzoxazole; (E)-4-oxidanylidene-4-[propyl(pyridin-4-yl)amino]oxy-but-2-enoate

Systemtic Name: 1,2-benzoxazole; (E)-4-oxidanylidene-4-[propyl(pyridin-4-yl)amino]oxy-but-2-enoate Openeye Name: 1,2-benzoxazole; (E)-4-oxo-4-[propyl(4-pyridyl)amino]oxy-but-2-enoate CAS Name: 1,2-benzoxazole; (E)-4-oxo-4-[propyl(pyridin-4-yl)amino]oxy-2-butenoate IUPAC Name: 1,2-benzoxazole; (E)-4-oxo-4-[propyl(pyridin-4-yl)amino]oxybut-2-enoate Traditional Name: indoxazene; (E)-4-keto-4-[propyl(4-pyridyl)amino]oxy-but-2-enoate Formula: C19H18N3O5- MolecularWeight: 368.36332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=NC=C1)OC(=O)C=CC(=O)[O-].C1=CC=C2C(=C1)C=NO2

Isomeric SMILES

CCCN(C1=CC=NC=C1)OC(=O)/C=C/C(=O)[O-].C1=CC=C2C(=C1)C=NO2

InChI

InChI=1S/C12H14N2O4.C7H5NO/c1-2-9-14(10-5-7-13-8-6-10)18-12(17)4-3-11(15)16;1-2-4-7-6(3-1)5-8-9-7/h3-8H,2,9H2,1H3,(H,15,16);1-5H/p-1/b4-3+;