1,3-benzodioxol-5-yl 2-chloranyl-4-nitro-benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 2-chloranyl-4-nitro-benzoate Openeye Name: 1,3-benzodioxol-5-yl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid 1,3-benzodioxol-5-yl ester Formula: C14H8ClNO6 MolecularWeight: 321.66942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8ClNO6/c15-11-5-8(16(18)19)1-3-10(11)14(17)22-9-2-4-12-13(6-9)21-7-20-12/h1-6H,7H2