[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)benzoate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)benzoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate CAS Name: 2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]benzoic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)benzoic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C25H20N2O9 MolecularWeight: 492.4343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H20N2O9/c1-33-20-9-7-16(27(31)32)13-19(20)26-23(28)14-36-25(30)18-5-3-2-4-17(18)24(29)15-6-8-21-22(12-15)35-11-10-34-21/h2-9,12-13H,10-11,14H2,1H3,(H,26,28)