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

Systemtic Name: 3-[1-(3-azanyl-3-oxidanylidene-propyl)-3-(4-methoxyphenyl)pyrazol-4-yl]-2-cyano-prop-2-enoic acid Openeye Name: 3-[1-(3-amino-3-oxo-propyl)-3-(4-methoxyphenyl)pyrazol-4-yl]-2-cyano-prop-2-enoic acid CAS Name: 3-[1-(3-amino-3-oxopropyl)-3-(4-methoxyphenyl)-4-pyrazolyl]-2-cyano-2-propenoic acid IUPAC Name: 3-[1-(3-amino-3-oxopropyl)-3-(4-methoxyphenyl)pyrazol-4-yl]-2-cyanoprop-2-enoic acid Traditional Name: 3-[1-(3-amino-3-keto-propyl)-3-(4-methoxyphenyl)pyrazol-4-yl]-2-cyano-acrylic acid Formula: C17H16N4O4 MolecularWeight: 340.33334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O4/c1-25-14-4-2-11(3-5-14)16-13(8-12(9-18)17(23)24)10-21(20-16)7-6-15(19)22/h2-5,8,10H,6-7H2,1H3,(H2,19,22)(H,23,24)