3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]propanoic acid

Systemtic Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]propanoic acid Openeye Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]propanoic acid CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[(2,5-dimethyl-4-nitro-3-pyrazolyl)amino]propanoic acid IUPAC Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(2,5-dimethyl-4-nitropyrazol-3-yl)amino]propanoic acid Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)amino]propionic acid Formula: C17H21N5O6 MolecularWeight: 391.37854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])NC(CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)O)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])NC(CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)O)C

InChI

InChI=1S/C17H21N5O6/c1-10-14(22(26)27)15(21(4)19-10)18-13(16(23)24)9-11-5-7-12(8-6-11)28-17(25)20(2)3/h5-8,13,18H,9H2,1-4H3,(H,23,24)