3-[5-[(3-nitro-5-pyridin-3-yloxy-phenyl)carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[(3-nitro-5-pyridin-3-yloxy-phenyl)carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[[3-nitro-5-(3-pyridyloxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[3-nitro-5-(3-pyridinyloxy)anilino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[(3-nitro-5-pyridin-3-yloxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[[3-nitro-5-(3-pyridyloxy)phenyl]carbamoyl]pyrazol-1-yl]propionic acid Formula: C18H15N5O6 MolecularWeight: 397.3416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=NN3CCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC=NN3CCC(=O)O

InChI

InChI=1S/C18H15N5O6/c24-17(25)4-7-22-16(3-6-20-22)18(26)21-12-8-13(23(27)28)10-15(9-12)29-14-2-1-5-19-11-14/h1-3,5-6,8-11H,4,7H2,(H,21,26)(H,24,25)