[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate CAS Name: 2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate Traditional Name: 2,3-dihydro-p-dioxin-5-carboxylic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C14H13NO7 MolecularWeight: 307.25552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=COCCO2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=COCCO2)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO7/c1-9-2-3-10(6-11(9)15(18)19)12(16)7-22-14(17)13-8-20-4-5-21-13/h2-3,6,8H,4-5,7H2,1H3