(4-methoxycarbonylphenyl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: (4-methoxycarbonylphenyl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (4-carbomethoxybenzyl) ester Formula: C18H15NO8 MolecularWeight: 373.3136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C18H15NO8/c1-24-17(20)12-4-2-11(3-5-12)10-27-18(21)13-8-15-16(26-7-6-25-15)9-14(13)19(22)23/h2-5,8-9H,6-7,10H2,1H3