[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C19H18N2O9 MolecularWeight: 418.35422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O9/c1-26-12-5-11(6-13(7-12)27-2)20-18(22)10-30-19(23)14-8-16-17(29-4-3-28-16)9-15(14)21(24)25/h5-9H,3-4,10H2,1-2H3,(H,20,22)