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

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C18H16N2O8 MolecularWeight: 388.32824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H16N2O8/c1-25-14-5-3-12(20(23)24)9-13(14)19-17(21)10-28-18(22)11-2-4-15-16(8-11)27-7-6-26-15/h2-5,8-9H,6-7,10H2,1H3,(H,19,21)