(3-methoxycarbonylphenyl)methyl 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: (3-methoxycarbonylphenyl)methyl 2-(dimethylamino)-5-nitro-benzoate Openeye Name: (3-methoxycarbonylphenyl)methyl 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid (3-methoxycarbonylphenyl)methyl ester IUPAC Name: (3-methoxycarbonylphenyl)methyl 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid (3-carbomethoxybenzyl) ester Formula: C18H18N2O6 MolecularWeight: 358.34532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C18H18N2O6/c1-19(2)16-8-7-14(20(23)24)10-15(16)18(22)26-11-12-5-4-6-13(9-12)17(21)25-3/h4-10H,11H2,1-3H3