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

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-methoxy-3-nitro-benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C16H12ClNO7 MolecularWeight: 365.72198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClNO7/c1-22-13-3-2-10(6-12(13)18(20)21)16(19)23-7-9-4-11(17)15-14(5-9)24-8-25-15/h2-6H,7-8H2,1H3