[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] phenanthro[9,10-b]quinoxaline-11-carboxylate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] phenanthro[9,10-b]quinoxaline-11-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] phenanthro[9,10-b]quinoxaline-11-carboxylate CAS Name: 11-phenanthro[9,10-b]quinoxalinecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] phenanthro[9,10-b]quinoxaline-11-carboxylate Traditional Name: phenanthro[9,10-b]quinoxaline-11-carboxylic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C31H22N2O3 MolecularWeight: 470.51798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)N=C4C5=CC=CC=C5C6=CC=CC=C6C4=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)N=C4C5=CC=CC=C5C6=CC=CC=C6C4=N3)C

InChI

InChI=1S/C31H22N2O3/c1-18-11-12-20(15-19(18)2)28(34)17-36-31(35)21-13-14-26-27(16-21)33-30-25-10-6-4-8-23(25)22-7-3-5-9-24(22)29(30)32-26/h3-16H,17H2,1-2H3