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

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-azanyl-4-nitro-benzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C18H19N3O5 MolecularWeight: 357.36056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5/c19-16-11-14(21(24)25)8-9-15(16)18(23)26-12-17(22)20-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12,19H2,(H,20,22)