1,3-benzodioxol-5-yl 4-methyl-3-nitro-benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 4-methyl-3-nitro-benzoate Openeye Name: 1,3-benzodioxol-5-yl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-methyl-3-nitrobenzoate Traditional Name: 4-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=C(C=C1)C(=O)OC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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