2-[(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(2-methyl-4-nitro-5-propyl-pyrazol-3-yl)carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[(2-methyl-4-nitro-5-propyl-pyrazole-3-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[(2-methyl-4-nitro-5-propyl-3-pyrazolyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2-methyl-4-nitro-5-propylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(2-methyl-4-nitro-5-propyl-pyrazole-3-carbonyl)amino]-3-phenyl-propionic acid Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)NC(CC2=CC=CC=C2)C(=O)O)C

Isomeric SMILES

CCCC1=NN(C(=C1[N+](=O)[O-])C(=O)NC(CC2=CC=CC=C2)C(=O)O)C

InChI

InChI=1S/C17H20N4O5/c1-3-7-12-14(21(25)26)15(20(2)19-12)16(22)18-13(17(23)24)10-11-8-5-4-6-9-11/h4-6,8-9,13H,3,7,10H2,1-2H3,(H,18,22)(H,23,24)