1,3-benzodioxol-5-ylmethyl 3-methyl-2-nitro-benzoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 3-methyl-2-nitro-benzoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid piperonyl ester Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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