(2,6-dimethylphenyl) 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: (2,6-dimethylphenyl) 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: (2,6-dimethylphenyl) 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid (2,6-dimethylphenyl) ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C2=CC(=C(C=C2)NCCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)C2=CC(=C(C=C2)NCCOC)[N+](=O)[O-]

InChI

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