[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 4-[(2-nitrophenyl)amino]butanoate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5/c1-16(2)23(17-9-4-3-5-10-17)20(25)15-29-21(26)13-8-14-22-18-11-6-7-12-19(18)24(27)28/h3-7,9-12,16,22H,8,13-15H2,1-2H3