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

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C17H17N5O5 MolecularWeight: 371.34738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)O[C@H](C)C2=NC(=O)C3=CC=CC=C3N2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O5/c1-9-15(22(25)26)10(2)21(20-9)8-14(23)27-11(3)16-18-13-7-5-4-6-12(13)17(24)19-16/h4-7,11H,8H2,1-3H3,(H,18,19,24)/t11-/m1/s1