[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-(4-isopropylphenyl)-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (2-keto-2-p-cumenyl-ethyl) ester Formula: C18H18N2O5 MolecularWeight: 342.34592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c1-11(2)12-3-5-13(6-4-12)17(21)10-25-18(22)14-7-8-15(19)16(9-14)20(23)24/h3-9,11H,10,19H2,1-2H3