[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C16H11NO7 MolecularWeight: 329.26104

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11NO7/c18-13(10-4-5-14-15(7-10)24-9-23-14)8-22-16(19)11-2-1-3-12(6-11)17(20)21/h1-7H,8-9H2