2-(2-methylphenoxy)ethyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: 2-(2-methylphenoxy)ethyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: 2-(2-methylphenoxy)ethyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid 2-(2-methylphenoxy)ethyl ester IUPAC Name: 2-(2-methylphenoxy)ethyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid 2-(2-methylphenoxy)ethyl ester Formula: C18H20N2O5 MolecularWeight: 344.3618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCOC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCCOC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5/c1-13-6-4-5-7-17(13)24-10-11-25-18(21)14-8-9-15(19(2)3)16(12-14)20(22)23/h4-9,12H,10-11H2,1-3H3