(7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-tert-butyl-3-nitro-benzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-tert-butyl-3-nitro-benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C19H18ClNO6 MolecularWeight: 391.80232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClNO6/c1-19(2,3)13-5-4-12(8-15(13)21(23)24)18(22)25-9-11-6-14(20)17-16(7-11)26-10-27-17/h4-8H,9-10H2,1-3H3