[2-oxidanylidene-2-(4-propylphenyl)ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-propylphenyl)ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-oxo-2-(4-propylphenyl)ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [2-oxo-2-(4-propylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propylphenyl)ethyl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-keto-2-(4-propylphenyl)ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

InChI

InChI=1S/C18H18N2O5/c1-2-3-12-4-6-13(7-5-12)17(21)11-25-18(22)15-10-14(20(23)24)8-9-16(15)19/h4-10H,2-3,11,19H2,1H3