1-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]pyridin-1-ium-3-olate

Systemtic Name: 1-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]pyridin-1-ium-3-olate Openeye Name: 1-[(E)-3-(4-bromophenyl)-3-oxo-prop-1-enyl]pyridin-1-ium-3-olate CAS Name: 1-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]-3-pyridin-1-iumolate IUPAC Name: 1-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]pyridin-1-ium-3-olate Traditional Name: 1-[(E)-3-(4-bromophenyl)-3-keto-prop-1-enyl]pyridin-1-ium-3-olate Formula: C14H10BrNO2 MolecularWeight: 304.1387

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)C=CC(=O)C2=CC=C(C=C2)Br)[O-]

Isomeric SMILES

C1=CC(=C[N+](=C1)/C=C/C(=O)C2=CC=C(C=C2)Br)[O-]

InChI

InChI=1S/C14H10BrNO2/c15-12-5-3-11(4-6-12)14(18)7-9-16-8-1-2-13(17)10-16/h1-10H/b9-7+