3-[3-(3-nitrophenyl)-4-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(3-nitrophenyl)-4-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(3-hydroxy-3-oxo-prop-1-enyl)-3-(3-nitrophenyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(3-hydroxy-3-oxoprop-1-enyl)-3-(3-nitrophenyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(3-hydroxy-3-oxoprop-1-enyl)-3-(3-nitrophenyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(3-hydroxy-3-keto-prop-1-enyl)-3-(3-nitrophenyl)pyrazol-1-yl]propionic acid Formula: C15H13N3O6 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN(C=C2C=CC(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN(C=C2C=CC(=O)O)CCC(=O)O

InChI

InChI=1S/C15H13N3O6/c19-13(20)5-4-11-9-17(7-6-14(21)22)16-15(11)10-2-1-3-12(8-10)18(23)24/h1-5,8-9H,6-7H2,(H,19,20)(H,21,22)