[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-(3,4-dicyanophenoxy)benzoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-(3,4-dicyanophenoxy)benzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 3-(3,4-dicyanophenoxy)benzoate CAS Name: 3-(3,4-dicyanophenoxy)benzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 3-(3,4-dicyanophenoxy)benzoate Traditional Name: 3-(3,4-dicyanophenoxy)benzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C24H15N3O6 MolecularWeight: 441.3924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)OC3=CC(=C(C=C3)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)OC3=CC(=C(C=C3)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C24H15N3O6/c1-15-5-6-16(11-22(15)27(30)31)23(28)14-32-24(29)17-3-2-4-20(9-17)33-21-8-7-18(12-25)19(10-21)13-26/h2-11H,14H2,1H3