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

Systemtic Name: 3-[4-[(Z)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propanoate Openeye Name: 3-[4-[(Z)-3-amino-2-cyano-3-oxo-prop-1-enyl]-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propanoate CAS Name: 3-[4-[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]-3-(3,4-dimethoxyphenyl)-1-pyrazolyl]propanoate IUPAC Name: 3-[4-[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propanoate Traditional Name: 3-[4-[(Z)-3-amino-2-cyano-3-keto-prop-1-enyl]-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propionate Formula: C18H17N4O5- MolecularWeight: 369.35138

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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=C2/C=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)/p-1/b12-7-