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

Systemtic Name: 3-[3-(3-bromophenyl)-4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]pyrazol-1-yl]propanoate Openeye Name: 3-[3-(3-bromophenyl)-4-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]pyrazol-1-yl]propanoate CAS Name: 3-[3-(3-bromophenyl)-4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-1-pyrazolyl]propanoate IUPAC Name: 3-[3-(3-bromophenyl)-4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]pyrazol-1-yl]propanoate Traditional Name: 3-[3-(3-bromophenyl)-4-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]pyrazol-1-yl]propionate Formula: C18H15BrN3O4- MolecularWeight: 417.2334

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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(=C/C1=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)/p-1/b13-8+