(3,3-dimethyl-2-oxidanylidene-butyl) phenanthro[9,10-b]quinoxaline-11-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) phenanthro[9,10-b]quinoxaline-11-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) phenanthro[9,10-b]quinoxaline-11-carboxylate CAS Name: 11-phenanthro[9,10-b]quinoxalinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) phenanthro[9,10-b]quinoxaline-11-carboxylate Traditional Name: phenanthro[9,10-b]quinoxaline-11-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C27H22N2O3 MolecularWeight: 422.47518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C5=CC=CC=C5C3=N2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C5=CC=CC=C5C3=N2

InChI

InChI=1S/C27H22N2O3/c1-27(2,3)23(30)15-32-26(31)16-12-13-21-22(14-16)29-25-20-11-7-5-9-18(20)17-8-4-6-10-19(17)24(25)28-21/h4-14H,15H2,1-3H3