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

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate Openeye Name: [2-(2-cyano-4-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-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate Traditional Name: 2,3-dihydro-p-dioxin-5-carboxylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C14H11N3O7 MolecularWeight: 333.25304

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=CO1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1COC(=CO1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H11N3O7/c15-6-9-5-10(17(20)21)1-2-11(9)16-13(18)8-24-14(19)12-7-22-3-4-23-12/h1-2,5,7H,3-4,8H2,(H,16,18)