sodium (E)-4-[4-(3-methylquinoxalin-2-yl)oxyphenoxy]pent-2-enoate

Systemtic Name: sodium (E)-4-[4-(3-methylquinoxalin-2-yl)oxyphenoxy]pent-2-enoate Openeye Name: sodium (E)-4-[4-(3-methylquinoxalin-2-yl)oxyphenoxy]pent-2-enoate CAS Name: sodium (E)-4-[4-[(3-methyl-2-quinoxalinyl)oxy]phenoxy]-2-pentenoate IUPAC Name: sodium (E)-4-[4-(3-methylquinoxalin-2-yl)oxyphenoxy]pent-2-enoate Traditional Name: sodium (E)-4-[4-(3-methylquinoxalin-2-yl)oxyphenoxy]pent-2-enoate Formula: C20H17N2NaO4 MolecularWeight: 372.34975

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1OC3=CC=C(C=C3)OC(C)C=CC(=O)[O-].[Na+]

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1OC3=CC=C(C=C3)OC(C)/C=C/C(=O)[O-].[Na+]

InChI

InChI=1S/C20H18N2O4.Na/c1-13(7-12-19(23)24)25-15-8-10-16(11-9-15)26-20-14(2)21-17-5-3-4-6-18(17)22-20;/h3-13H,1-2H3,(H,23,24);/q;+1/p-1/b12-7+;