[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 4-(2-hydroxyethylamino)-3-nitro-benzoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 4-(2-hydroxyethylamino)-3-nitro-benzoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 4-(2-hydroxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-hydroxyethylamino)-3-nitrobenzoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 4-(2-hydroxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-hydroxyethylamino)-3-nitro-benzoic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C19H20N2O6 MolecularWeight: 372.3719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)NCCO)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)NCCO)[N+](=O)[O-]

InChI

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