dodecyl 4-chloranyl-3-[(4-ethyl-6-oxidanyl-3-oxidanylidene-quinoxalin-2-yl)carbonylamino]benzoate

Systemtic Name: dodecyl 4-chloranyl-3-[(4-ethyl-6-oxidanyl-3-oxidanylidene-quinoxalin-2-yl)carbonylamino]benzoate Openeye Name: dodecyl 4-chloro-3-[(4-ethyl-6-hydroxy-3-oxo-quinoxaline-2-carbonyl)amino]benzoate CAS Name: 4-chloro-3-[[(4-ethyl-6-hydroxy-3-oxo-2-quinoxalinyl)-oxomethyl]amino]benzoic acid dodecyl ester IUPAC Name: dodecyl 4-chloro-3-[(4-ethyl-6-hydroxy-3-oxoquinoxaline-2-carbonyl)amino]benzoate Traditional Name: 4-chloro-3-[(4-ethyl-6-hydroxy-3-keto-quinoxaline-2-carbonyl)amino]benzoic acid lauryl ester Formula: C30H38ClN3O5 MolecularWeight: 556.09282

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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

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=NC3=C(C=C(C=C3)O)N(C2=O)CC

InChI

InChI=1S/C30H38ClN3O5/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)