[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=COCCO2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=COCCO2

InChI

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