methyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C18H16N2O8 MolecularWeight: 388.32824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

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