3-[4-(2,2-dicyanoethenyl)-3-(4-methoxy-3-nitro-phenyl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-(2,2-dicyanoethenyl)-3-(4-methoxy-3-nitro-phenyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(2,2-dicyanovinyl)-3-(4-methoxy-3-nitro-phenyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(2,2-dicyanoethenyl)-3-(4-methoxy-3-nitrophenyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(2,2-dicyanoethenyl)-3-(4-methoxy-3-nitrophenyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(2,2-dicyanovinyl)-3-(4-methoxy-3-nitro-phenyl)pyrazol-1-yl]propionic acid Formula: C17H13N5O5 MolecularWeight: 367.31562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C#N)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C#N)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O5/c1-27-15-3-2-12(7-14(15)22(25)26)17-13(6-11(8-18)9-19)10-21(20-17)5-4-16(23)24/h2-3,6-7,10H,4-5H2,1H3,(H,23,24)