methyl 4-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(1,3-benzodioxol-5-yl)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C17H13NO8 MolecularWeight: 359.28702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO8/c1-23-17(20)11-3-4-14(12(6-11)18(21)22)24-8-13(19)10-2-5-15-16(7-10)26-9-25-15/h2-7H,8-9H2,1H3