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

Systemtic Name: 1,3-benzodioxol-5-yl 2-methyl-3-nitro-benzoate Openeye Name: 1,3-benzodioxol-5-yl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid 1,3-benzodioxol-5-yl ester Formula: C15H11NO6 MolecularWeight: 301.25094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H11NO6/c1-9-11(3-2-4-12(9)16(18)19)15(17)22-10-5-6-13-14(7-10)21-8-20-13/h2-7H,8H2,1H3