bis[2-methoxy-4-(6-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl] benzene-1,4-dicarboxylate

Systemtic Name: bis[2-methoxy-4-(6-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl] benzene-1,4-dicarboxylate Openeye Name: bis[2-methoxy-4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid bis[2-methoxy-4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl] ester IUPAC Name: bis[2-methoxy-4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid bis[4-(4-keto-6-methyl-3,1-benzoxazin-2-yl)-2-methoxy-phenyl] ester Formula: C40H28N2O10 MolecularWeight: 696.65772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC(=C(C=C3)OC(=O)C4=CC=C(C=C4)C(=O)OC5=C(C=C(C=C5)C6=NC7=C(C=C(C=C7)C)C(=O)O6)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC(=C(C=C3)OC(=O)C4=CC=C(C=C4)C(=O)OC5=C(C=C(C=C5)C6=NC7=C(C=C(C=C7)C)C(=O)O6)OC)OC

InChI

InChI=1S/C40H28N2O10/c1-21-5-13-29-27(17-21)39(45)51-35(41-29)25-11-15-31(33(19-25)47-3)49-37(43)23-7-9-24(10-8-23)38(44)50-32-16-12-26(20-34(32)48-4)36-42-30-14-6-22(2)18-28(30)40(46)52-36/h5-20H,1-4H3