1-(1,3-benzodioxol-5-yl)propan-2-yl 4-nitrobenzoate

Systemtic Name: 1-(1,3-benzodioxol-5-yl)propan-2-yl 4-nitrobenzoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 1-(1,3-benzodioxol-5-yl)propan-2-yl ester IUPAC Name: 1-(1,3-benzodioxol-5-yl)propan-2-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(1,3-benzodioxol-5-yl)-1-methyl-ethyl] ester Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15NO6/c1-11(8-12-2-7-15-16(9-12)23-10-22-15)24-17(19)13-3-5-14(6-4-13)18(20)21/h2-7,9,11H,8,10H2,1H3