[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C17H12N2O5 MolecularWeight: 324.28758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O5/c1-11-2-5-14(8-15(11)19(22)23)16(20)10-24-17(21)13-6-3-12(9-18)4-7-13/h2-8H,10H2,1H3