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

Systemtic Name: 3-[1-(3-azanyl-3-oxidanylidene-propyl)-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-2-cyano-prop-2-enoic acid Openeye Name: 3-[1-(3-amino-3-oxo-propyl)-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-2-cyano-prop-2-enoic acid CAS Name: 3-[1-(3-amino-3-oxopropyl)-3-(3,4-dimethoxyphenyl)-4-pyrazolyl]-2-cyano-2-propenoic acid IUPAC Name: 3-[1-(3-amino-3-oxopropyl)-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid Traditional Name: 3-[1-(3-amino-3-keto-propyl)-3-(3,4-dimethoxyphenyl)pyrazol-4-yl]-2-cyano-acrylic 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)O)CCC(=O)N)OC

Isomeric SMILES

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

InChI

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