sodium 2-[(2-chloranyl-5-dodecoxycarbonyl-phenyl)carbamoyl]-4-ethyl-3-oxidanylidene-quinoxalin-6-olate

Systemtic Name: sodium 2-[(2-chloranyl-5-dodecoxycarbonyl-phenyl)carbamoyl]-4-ethyl-3-oxidanylidene-quinoxalin-6-olate Openeye Name: sodium 2-[(2-chloro-5-dodecoxycarbonyl-phenyl)carbamoyl]-4-ethyl-3-oxo-quinoxalin-6-olate CAS Name: sodium 2-[[2-chloro-5-[dodecoxy(oxo)methyl]anilino]-oxomethyl]-4-ethyl-3-oxo-6-quinoxalinolate IUPAC Name: sodium 2-[(2-chloro-5-dodecoxycarbonylphenyl)carbamoyl]-4-ethyl-3-oxoquinoxalin-6-olate Traditional Name: sodium 2-[(2-chloro-5-lauryloxycarbonyl-phenyl)carbamoyl]-4-ethyl-3-keto-quinoxalin-6-olate Formula: C30H37ClN3NaO5 MolecularWeight: 578.07465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=NC3=C(C=C(C=C3)[O-])N(C2=O)CC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=NC3=C(C=C(C=C3)[O-])N(C2=O)CC.[Na+]

InChI

InChI=1S/C30H38ClN3O5.Na/c1-3-5-6-7-8-9-10-11-12-13-18-39-30(38)21-14-16-23(31)25(19-21)33-28(36)27-29(37)34(4-2)26-20-22(35)15-17-24(26)32-27;/h14-17,19-20,35H,3-13,18H2,1-2H3,(H,33,36);/q;+1/p-1