3-[4-methanoyl-3-(2-oxidanylidenechromen-3-yl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-methanoyl-3-(2-oxidanylidenechromen-3-yl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-formyl-3-(2-oxochromen-3-yl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-formyl-3-(2-oxo-1-benzopyran-3-yl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-formyl-3-(2-oxochromen-3-yl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-formyl-3-(2-ketochromen-3-yl)pyrazol-1-yl]propionic acid Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C=C3C=O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NN(C=C3C=O)CCC(=O)O

InChI

InChI=1S/C16H12N2O5/c19-9-11-8-18(6-5-14(20)21)17-15(11)12-7-10-3-1-2-4-13(10)23-16(12)22/h1-4,7-9H,5-6H2,(H,20,21)