[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate CAS Name: 2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate Traditional Name: 2,3-dihydro-p-dioxin-5-carboxylic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C14H14N2O7 MolecularWeight: 322.27016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O7/c1-9-3-2-4-10(16(19)20)13(9)15-12(17)8-23-14(18)11-7-21-5-6-22-11/h2-4,7H,5-6,8H2,1H3,(H,15,17)