(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-methyl-3-nitro-benzoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-methyl-3-nitro-benzoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C17H14ClNO6 MolecularWeight: 363.74916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClNO6/c1-10-2-3-12(8-14(10)19(21)22)17(20)25-9-11-6-13(18)16-15(7-11)23-4-5-24-16/h2-3,6-8H,4-5,9H2,1H3