methyl 3-nitro-4-[(2S)-1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]oxy-benzoate

Systemtic Name: methyl 3-nitro-4-[(2S)-1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]oxy-benzoate Openeye Name: methyl 4-[(1S)-2-[(2-isopropylpyrazol-3-yl)amino]-1-methyl-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 3-nitro-4-[(2S)-1-oxo-1-[(2-propan-2-yl-3-pyrazolyl)amino]propan-2-yl]oxybenzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl]oxybenzoate Traditional Name: 4-[(1S)-2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-1-methyl-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C17H20N4O6 MolecularWeight: 376.3639

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=NN1C(C)C)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O6/c1-10(2)20-15(7-8-18-20)19-16(22)11(3)27-14-6-5-12(17(23)26-4)9-13(14)21(24)25/h5-11H,1-4H3,(H,19,22)/t11-/m0/s1