(6-nitro-1,3-benzodioxol-5-yl)methyl 4-methylbenzoate

Systemtic Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 4-methylbenzoate Openeye Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid (6-nitro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (6-nitro-1,3-benzodioxol-5-yl)methyl ester Formula: C16H13NO6 MolecularWeight: 315.27752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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