(4-nitrophenyl)methyl 2-[(1,5-dimethylpyrazol-3-yl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[(1,5-dimethylpyrazol-3-yl)carbonylamino]-3-methyl-butanoate Openeye Name: (4-nitrophenyl)methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-methyl-butanoate CAS Name: 2-[[(1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-methylbutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-methylbutanoate Traditional Name: 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-methyl-butyric acid (4-nitrobenzyl) ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)NC(C(C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1C)C(=O)NC(C(C)C)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5/c1-11(2)16(19-17(23)15-9-12(3)21(4)20-15)18(24)27-10-13-5-7-14(8-6-13)22(25)26/h5-9,11,16H,10H2,1-4H3,(H,19,23)