[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C16H10ClNO7 MolecularWeight: 363.7061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClNO7/c17-12-3-2-10(18(21)22)6-11(12)16(20)23-7-13(19)9-1-4-14-15(5-9)25-8-24-14/h1-6H,7-8H2