3-[4-(3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl)-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-(3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl)-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(3-amino-2-cyano-3-oxo-prop-1-enyl)-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(3-amino-2-cyano-3-oxoprop-1-enyl)-3-(3,4-dimethoxyphenyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(3-amino-2-cyano-3-oxoprop-1-enyl)-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(3-amino-2-cyano-3-keto-prop-1-enyl)-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propionic acid Formula: C18H18N4O5 MolecularWeight: 370.35932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N)CCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N)CCC(=O)O)OC

InChI

InChI=1S/C18H18N4O5/c1-26-14-4-3-11(8-15(14)27-2)17-13(7-12(9-19)18(20)25)10-22(21-17)6-5-16(23)24/h3-4,7-8,10H,5-6H2,1-2H3,(H2,20,25)(H,23,24)