(E)-3-(3-methoxy-4-pyrazol-1-yl-phenyl)prop-2-enal

Systemtic Name: (E)-3-(3-methoxy-4-pyrazol-1-yl-phenyl)prop-2-enal Openeye Name: (E)-3-(3-methoxy-4-pyrazol-1-yl-phenyl)prop-2-enal CAS Name: (E)-3-[3-methoxy-4-(1-pyrazolyl)phenyl]-2-propenal IUPAC Name: (E)-3-(3-methoxy-4-pyrazol-1-ylphenyl)prop-2-enal Traditional Name: (E)-3-(3-methoxy-4-pyrazol-1-yl-phenyl)acrolein Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC=O)N2C=CC=N2

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C=O)N2C=CC=N2

InChI

InChI=1S/C13H12N2O2/c1-17-13-10-11(4-2-9-16)5-6-12(13)15-8-3-7-14-15/h2-10H,1H3/b4-2+