[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] acenaphthyleno[1,2-b]quinoxaline-9-carboxylate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] acenaphthyleno[1,2-b]quinoxaline-9-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] acenaphthyleno[1,2-b]quinoxaline-9-carboxylate CAS Name: 9-acenaphthyleno[1,2-b]quinoxalinecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] acenaphthyleno[1,2-b]quinoxaline-9-carboxylate Traditional Name: acenaphtho[1,2-b]quinoxaline-9-carboxylic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C29H20N2O3 MolecularWeight: 444.4807

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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=CC6=C5C(=CC=C6)C4=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)N=C4C5=CC=CC6=C5C(=CC=C6)C4=N3)C

InChI

InChI=1S/C29H20N2O3/c1-16-9-10-19(13-17(16)2)25(32)15-34-29(33)20-11-12-23-24(14-20)31-28-22-8-4-6-18-5-3-7-21(26(18)22)27(28)30-23/h3-14H,15H2,1-2H3