[2-oxidanylidene-2-(1-phenylbutylamino)ethyl] 2-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(1-phenylbutylamino)ethyl] 2-nitrobenzoate Openeye Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-oxo-2-(1-phenylbutylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-2-(1-phenylbutylamino)ethyl] ester Formula: C19H20N2O5 MolecularWeight: 356.3725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5/c1-2-8-16(14-9-4-3-5-10-14)20-18(22)13-26-19(23)15-11-6-7-12-17(15)21(24)25/h3-7,9-12,16H,2,8,13H2,1H3,(H,20,22)