3-[3-(3-bromophenyl)-4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(3-bromophenyl)-4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-(3-bromophenyl)-4-(2-cyano-3-ethoxy-3-oxo-prop-1-enyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[3-(3-bromophenyl)-4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(3-bromophenyl)-4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-(3-bromophenyl)-4-(2-cyano-3-ethoxy-3-keto-prop-1-enyl)pyrazol-1-yl]propionic acid Formula: C18H16BrN3O4 MolecularWeight: 418.24134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN(N=C1C2=CC(=CC=C2)Br)CCC(=O)O)C#N

Isomeric SMILES

CCOC(=O)C(=CC1=CN(N=C1C2=CC(=CC=C2)Br)CCC(=O)O)C#N

InChI

InChI=1S/C18H16BrN3O4/c1-2-26-18(25)13(10-20)8-14-11-22(7-6-16(23)24)21-17(14)12-4-3-5-15(19)9-12/h3-5,8-9,11H,2,6-7H2,1H3,(H,23,24)