[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C18H22N4O5 MolecularWeight: 374.39108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC(=O)NCCCC2=CC=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC(=O)NCCCC2=CC=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5/c1-13-18(22(25)26)14(2)21(20-13)11-17(24)27-12-16(23)19-10-6-9-15-7-4-3-5-8-15/h3-5,7-8H,6,9-12H2,1-2H3,(H,19,23)