(4-methylphenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (4-methylphenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: p-tolylmethyl 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (4-methylbenzyl) ester Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO6/c1-10-2-4-11(5-3-10)8-21-16(18)12-6-14-15(23-9-22-14)7-13(12)17(19)20/h2-7H,8-9H2,1H3