(7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-methyl-2-nitro-benzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-methyl-2-nitro-benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C16H12ClNO6 MolecularWeight: 349.72258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C16H12ClNO6/c1-9-3-2-4-11(14(9)18(20)21)16(19)22-7-10-5-12(17)15-13(6-10)23-8-24-15/h2-6H,7-8H2,1H3