[2-oxidanylidene-2-(2,3,4,6-tetramethylphenyl)ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,3,4,6-tetramethylphenyl)ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-keto-2-(2,3,4,6-tetramethylphenyl)ethyl] ester Formula: C19H20N2O5 MolecularWeight: 356.3725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])C)C)C

InChI

InChI=1S/C19H20N2O5/c1-10-7-11(2)18(13(4)12(10)3)17(22)9-26-19(23)14-5-6-15(20)16(8-14)21(24)25/h5-8H,9,20H2,1-4H3