[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[2-(2,4-dimethylphenoxy)ethylamino]-2-keto-ethyl] ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCNC(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCNC(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H20N2O6/c1-13-6-7-17(14(2)10-13)26-9-8-20-18(22)12-27-19(23)15-4-3-5-16(11-15)21(24)25/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,22)