(Z)-3-(3-cyanophenyl)-4-pyrazol-1-yl-but-2-enoate

Systemtic Name: (Z)-3-(3-cyanophenyl)-4-pyrazol-1-yl-but-2-enoate Openeye Name: (Z)-3-(3-cyanophenyl)-4-pyrazol-1-yl-but-2-enoate CAS Name: (Z)-3-(3-cyanophenyl)-4-(1-pyrazolyl)-2-butenoate IUPAC Name: (Z)-3-(3-cyanophenyl)-4-pyrazol-1-ylbut-2-enoate Traditional Name: (Z)-3-(3-cyanophenyl)-4-pyrazol-1-yl-but-2-enoate Formula: C14H10N3O2- MolecularWeight: 252.2481

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=CC(=O)[O-])CN2C=CC=N2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)/C(=C/C(=O)[O-])/CN2C=CC=N2)C#N

InChI

InChI=1S/C14H11N3O2/c15-9-11-3-1-4-12(7-11)13(8-14(18)19)10-17-6-2-5-16-17/h1-8H,10H2,(H,18,19)/p-1/b13-8+