[2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-2-keto-ethyl] ester Formula: C18H13ClN2O8 MolecularWeight: 420.75742

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C(=O)NC(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H13ClN2O8/c19-12-6-5-10(21(25)26)7-11(12)18(24)28-9-16(22)20-17(23)15-8-27-13-3-1-2-4-14(13)29-15/h1-7,15H,8-9H2,(H,20,22,23)